-
Yang QU, Xian-Ming SUN
2006 Volume 22 Pages
x7-x8
Published: 2006
Released on J-STAGE: March 28, 2006
JOURNAL
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The reaction of
m-fluorobenzoate silver with a self-assembling system ligand (Dabco = 1,4-diazabicyclo[2.2.2]octane) in an acetonitrile–water (2:1) solution (10 ml) afforded a polymeric Ag(I) complex, {[Ag(H
2O)(Dabco)
1.5] [C
7H
4FO
2]·2H
2O}
n, in high yield. X-ray crystallography was used to investigate the resulting Ag(I) complex. The coordination number around each Ag(I) is four, with a distorted tetrahedron geometry. Each silver cation is coordinated by three nitrogen atoms from three Dabco ligands and a water oxygen atom. Two silver cations are triconnected by three different Dabco ligands alternately into an infinite honeycomb-like layer on the ac plane. This complex was solved in the monoclinic system, space group
C2/
c, with the following unit-cell parameters:
a = 21.461(6)Å,
b = 14.919(4)Å,
c = 12.319(3)Å,
β = 90.000(3)°,
Z = 8,
V = 3944.1(18)Å
3. The final
R value was 0.0836 for 3834 measured reflections.
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Zeynep GÜLTEKIN, Tuncer HÖKELEK
2006 Volume 22 Pages
x9-x10
Published: 2006
Released on J-STAGE: March 28, 2006
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The title compound, C
6H
13NO
2S
2, consists of a five-membered dithiolane ring with one O atom bonded to each S atom and a dimethylaminomethyl group at the 2-position. The asymmetric unit contains three molecules. All of the S1, S2 and C1 atoms are likely to be stereogenic.
View full abstract
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Vivek K. GUPTA, Sanjeev GOSWAMI, B. D. GUPTA
2006 Volume 22 Pages
x11-x12
Published: 2006
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R-(+)-Marmin (7-[(6,7-dihydroxy-3,7-dimethyl-2-octenyl)oxy]-2
H-1-benzopyran-2-one, C
19H
24O
5) crystallizes in the orthorhombic space group
P2
12
12
1 with
a = 6.591(1),
b = 8.891(1),
c = 29.713(3)Å,
V = 1741.2(3)Å
3,
Z = 4,
Dcal = 1.268 Mg/m
3. The crystal structure was solved by direct methods using single crystal X-ray diffraction data and refined by full-matrix least-squares procedures to a final
R-value of 0.0320 for 3025 observed reflections. The crystal packing is influenced by O-H…O hydrogen bonds, and weak C-H…O and C-H…π interactions.
View full abstract
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Khodayar GHOLIVAND, Fresia MOJAHED, Marjan SALEHI, Ahlam Madani ALIZAD ...
2006 Volume 22 Pages
x13-x14
Published: 2006
Released on J-STAGE: March 28, 2006
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The synthesis and X-ray structure of the novel
N-benzoyl-
N,
N-bis(dibenzyl) phosphoric triamide are reported. The coordination at the phosphor atom in this compound is approximately tetrahedral and the environment of the three nitrogen atoms is planar.
View full abstract
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M. L. MRAD, C. Ben NASR, M. RZAIGUI
2006 Volume 22 Pages
x15-x16
Published: 2006
Released on J-STAGE: March 28, 2006
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The chemical preparation and crystal structure are given for a new organic dihydrogenphosphate, [C
8H
11NH
3]H
2PO
4. This compound is monoclinic
P2
1/
n with the following unit-cell parameters:
a = 11.245(1),
b = 6.515(6),
c = 15.915(6)Å,
β = 109.53(2)°,
V = 1098.9(8)Å
3,
Z = 4 and
Dx = 1.337 g cm
-3. The atomic arrangement is built by infinite corrugated ribbons, spreading parallel to the
b axis. Between these ribbons are located the 1-ethynyl-cyclohexanammonium cations, which form hydrogen bonds N-H…O with some oxygen atoms of phosphoric groups, giving rise to a three-dimensional network.
View full abstract
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P. G. ARAVINDAN, S. SELVANAYAGAM, D. VELMURUGAN, K. RAVIKUMAR, A. R. S ...
2006 Volume 22 Pages
x17-x18
Published: 2006
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1-
N-Methyl-spiro-[2-3′]oxindole-spiro[3-2″]-indane-1″,3″-dione-4-(
p-methylphenyl) pyrrolidine was used for an X-ray crystallographic analysis to confirm our project on spiro pyrrolidine compounds. The title compound crystallizes in the triclinic space group,
P1. In the crystal structure, the pyrrolidine ring adopts a half-chair conformation. In the crystal packing, symmetry-related molecules are linked by N-H…O and C-H…O dimer interactions. Apart from these interactions, the molecular packing is further stabilized by C-H…π and π…π interactions.
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G. USHA, S. SELVANAYAGAM, D. VELMURUGAN, K. RAVIKUMAR, J. JAYASHANKARA ...
2006 Volume 22 Pages
x19-x20
Published: 2006
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In the title compound, C
30H
23NO
4, the molecule includes two spiro junctions connecting acenaphthene rings and the pyrrolidine moiety. The acenaphthene ring atoms (C2, C7-C17) and (C3, C18-C28) make dihedral angles of 87.0(1) and 81.3(1)°, respectively, with the pyrrolidine ring system. The pyrrolidine ring exhibits an envelope conformation. In the crystal, packing is stabilized by C-H…π and π-π interactions.
View full abstract
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G. USHA, S. SELVANAYAGAM, D. VELMURUGAN, K. RAVIKUMAR, R. RATHNA DURGA ...
2006 Volume 22 Pages
x21-x22
Published: 2006
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A structure determination of C
26H
21N
2O
4 has shown that the molecule consists of two spiro junctions involving oxindole, acenaphthene and pyrrolidine ring systems. The least-squares plane through the pyrrolidine ring atoms is almost perpendicular to that through the acenaphthene ring atoms. The pyrrolidine ring adopts a half-chair conformation. In the crystal, molecules are stabilized by intramolecular C-H…O interactions.
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2006 Volume 22 Pages
x23
Published: 2006
Released on J-STAGE: May 02, 2006
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-
Joseph Rodolph FOTSING, Klaus BANERT, Bernhard WALFORT, Heinrich LANG
2006 Volume 22 Pages
x25-x26
Published: 2006
Released on J-STAGE: May 02, 2006
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Z-2-Amino-1-phenyl-3-phenylsulfonylprop-2-en-1-one crystallizes in the orthorhombic space group
Pna2
1 with
a = 9.3161(8),
b = 9.9450(8),
c = 15.2434(13)Å,
V = 1412.3(2)Å
3 and
Z = 4. The structure was solved by direct methods (SHELXS-97) and refined to a final
R value of 0.028 for 2799 reflections [
R(int) = 0.029]. The title compound has a
Z geometry about the ethene double bond. Intermolecular hydrogen bond formation between the nitrogen hydrogen atoms and the oxygen atoms of the sulfone as well as the NH
2 hydrogen atoms and the carbonyl groups leads to a polymeric structure.
View full abstract
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Debojit CHAKRABARTY, Hiromasa NAGASE, Masayuki KAMIJO, Tomohiro ENDO, ...
2006 Volume 22 Pages
x27-x28
Published: 2006
Released on J-STAGE: May 02, 2006
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The title compound, C
12H
24O
2·C
6H
6N
2O, crystallized in the triclinic space group
P1, with cell parameters
a = 5.4694(7)Å,
b = 34.636(7)Å,
c = 5.045(1)Å,
α = 91.94(2)°,
β = 92.19(2)°,
γ = 90.48(1)Å and
Z = 2. The nitrogen atom of the pyridine ring of the nicotinamide hydrogen-bonds to the hydroxy group of the lauric acid. The complexes form dimers through hydrogen bonds between the amide groups. The dimers are laterally packed to form a bilayer. The bilayers are stacked to form a lamellar structure. The hydrocarbon chain has an all-
trans conformation.
View full abstract
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Kayoko TANIGUCHI, Mikio YASUTAKE, Takuji HIROSE
2006 Volume 22 Pages
x29-x30
Published: 2006
Released on J-STAGE: May 02, 2006
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The crystal structure of the title salt was determined by X-ray diffraction. The compound crystallizes in a monoclinic space group,
C2, with cell parameters
a = 43.023(3)Å,
b = 5.8504(5)Å,
c = 16.6159(13)Å,
β = 93.776(2)°, and
Z = 4; the final residual factor, 0.0678, is for 7078 reflections.
View full abstract
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Rumiko TANAKA, Masayuki HARAMURA, Akito TANAKA, Noriaki HIRAYAMA
2006 Volume 22 Pages
x31-x32
Published: 2006
Released on J-STAGE: May 02, 2006
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The crystal of the title compound, C
20H
21ClN
2O
4·HCl·H
2O, belongs to space group
Pccn with cell dimensions
a = 30.76(1),
b = 11.795(4), and
c =11.524(4)Å. The final
R value is 0.051. The title molecule as a whole takes an extended conformation with the benzodioxole and chlorophenyl groups being placed on opposite sides with respect to the line through the two nitrogen atoms in the piperazine ring. The dioxole moiety adopts a slightly puckered envelope conformation.
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Tuncer HÖKELEK, Emine KILIÇ
2006 Volume 22 Pages
x33-x34
Published: 2006
Released on J-STAGE: May 02, 2006
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In the title compound, C
12H
9N
3, the two benzonoid rings are each planar, but slightly twisted with respect to each other with a dihedral angle of 1.79(6)°. Intermolecular N-H…N hydrogen bonds stabilize the crystal structure by causing the formation of a supramolecular architecture.
View full abstract
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Shinichiro KAMINO, Mitsunobu DOI, Takako YAMAGUCHI, Hiroshi TOMINAGA, ...
2006 Volume 22 Pages
x35-x36
Published: 2006
Released on J-STAGE: May 02, 2006
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The crystal structure of
o-sulfophenylfluorone (SPF) was determined by X-ray diffraction. This compound crystallizes in monoclinic, space
P2
1/
c with
a = 10.5722(6),
b = 15.6153(9),
c = 17.216(1)Å,
β = 91.420(1)°,
V = 2841.2(3)Å
3,
Z = 4. The final
R value is 0.046 for 5242 reflections (
I > 2σ(
I)). The structure takes a dihedral formation consisting of xanthene and benzene sulfonic rings and tautomers exist with a zwitterionic character.
View full abstract
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Sang Ho NAM, Han KWAK, Young Min LEE, Sung Jin HONG, Cheal KIM, Youngm ...
2006 Volume 22 Pages
x37-x38
Published: 2006
Released on J-STAGE: May 02, 2006
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The structure of H
26-Me
2-Me
2bpb (1,2-bis(6-methylpyridine-2-carboxamido)-4,5-dimethylbenzene) was determined by X-ray crystallography. The molecule is twisted with the dihedral angle between two pyridyl rings of 56.39(4)°.
View full abstract
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Ki-Min PARK, Youngjin KANG, Suk-Hee MOON, Jineun KIM, Shim Sung LEE
2006 Volume 22 Pages
x39-x40
Published: 2006
Released on J-STAGE: May 02, 2006
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The structure of the title compound, [C
26H
29N
2O
5]·PF
6·H
2O (= [LH]·PF
6·H
2O), was confirmed by low-temperature single-crystal analysis. The crystal system belongs to triclinic with a space group of
P1. The crystal structure reveals that the three-dimensional skeleton of [LH]
+ adopts an approximate
S-shape, and the intermolecular hydrogen bond between the quinoline nitrogen atoms of the adjacent molecules leads to form a helical 1-D polymer expanded along the
b-axis.
View full abstract
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S. NAVEEN, S. NANJUNDA SWAMY, BASAPPA, B. PRABHU SWAMY, Sridhar M. AN ...
2006 Volume 22 Pages
x41-x42
Published: 2006
Released on J-STAGE: May 02, 2006
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A new bioactive intermediate, 1-benzhydrylpiperazine, crystallizes in monoclinic space group
P2
1/
c with cell parameters
a = 10.171(8)Å,
b = 9.599(5)Å,
c = 15.526(13)Å,
β = 107.861(2)° and
Z = 4. The piperazine ring is in the chair conformation.
View full abstract
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Shaukath Ara KHANUM, S. NAVEEN, M. MAHENDRA, S. SHASHIKANTH, Sridhar M ...
2006 Volume 22 Pages
x43-x44
Published: 2006
Released on J-STAGE: May 02, 2006
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The title compound was synthesized and the structure was investigated by X-ray crystallography. The compound crystallizes in the monoclinic crystal class in the space group
P2
1/
c with cell parameters
a = 12.864(18)Å,
b = 7.536(10)Å,
c = 17.643(19)Å,
β = 132.195(6)°,
Z = 4. The structure exhibits an intramolecular hydrogen bond of the type O-H…O.
View full abstract
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Shaobin MIAO, Haixia KANG, Chenxia DU, Baoming JI
2006 Volume 22 Pages
x45-x46
Published: 2006
Released on J-STAGE: May 02, 2006
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The reaction between CuCl
2·2H
2O and 4,5-diazafluoren-9-one (dafone) in a 1 M HCl solution resulted in a mononuclear copper(II) complex, [Cu(dafone)
2Cl
2]·2H
2O. Crystallographic studies show that the Cu(II) ion is octahedrally coordinated to two chloride ions and four nitrogen atoms in two dafone molecules.
View full abstract
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Aliakbar Dehno KHALAJI, Mehdi AMIRNASR, Larry R. FALVELLO, Tatiana SOL ...
2006 Volume 22 Pages
x47-x48
Published: 2006
Released on J-STAGE: May 02, 2006
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The title complex, [(PPh
3)
2Ag(
μ-N
3)
2Ag(PPh
3)
2], has been synthesized and structurally characterized by single-crystal X-ray diffraction. The silver atoms are joined through a double
μ1,3-azido (N
3) bridge. To each silver atom are also coordinated two P atoms from two triphenylphosphine molecules. The coordinated polyhedron around silver is a distorted tetrahedron.
View full abstract
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Aliakbar Dehno KHALAJI, Mehdi AMIRNASR, Richard WELTER
2006 Volume 22 Pages
x49-x50
Published: 2006
Released on J-STAGE: May 02, 2006
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The title complex, [(ca
2ph)Cu(
μ-I)
2Cu(ca
2ph)] {ca
2ph =
N,
N′-bis(
trans-cinnamaldehyde)-phenylenediimine}, has been synthesized and structurally characterized by single-crystal X-ray diffraction. This complex has a dinuclear structure where two copper(I) ions are doubly bridged by iodine substituents. The ca
2ph acts as a bidentate ligand coordinating
via two N atoms to the copper. The coordination geometry around the Cu atom is a distorted tetrahedron formed by two N atoms from ca
2ph and two iodine substituents. The distance between the two copper atoms is 2.5992(15)Å.
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Waldemar WYSOCKI, Danuta BRANOWSKA, Zofia URBANCZYK-LIPKOWSKA, Zbignie ...
2006 Volume 22 Pages
x51-x52
Published: 2006
Released on J-STAGE: May 02, 2006
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The title compound, [Cu(C
12H
12N
2S
2)
2]
+(PF
6)
-, crystallizes in the monoclinic system, space group
P2
1/
c, with cell constants
a = 10.1636(9)Å,
b = 15.0684(8)Å,
c = 18.7741(14)Å,
β = 90.747(7)° and
Z = 4. The copper(I) ion is coordinated by four N atoms from two bidentate 6,6′-dimethylsulfanyl-2,2′-bipyridyl ligands. The CuN
4 unit has a distorted tetrahedral geometry with the N-Cu-N angles ranging from 80.45(19)° to 139.8(2)°.
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Zbigniew KARCZMARZYK, Wieslaw MALINKA
2006 Volume 22 Pages
x53-x54
Published: 2006
Released on J-STAGE: May 02, 2006
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The title compound, C
17H
20N
6OS, crystallizes in the triclinic system, space group
P1, with cell constants
a = 6.166(1)Å,
b = 8.874(2)Å,
c = 16.850(3)Å,
α = 80.89(3)°,
β = 86.71(3)°,
γ = 73.35(3)° and
Z = 2. The piperazine ring adopts a chair conformation. A strong conjugation effect of the lone pair of the tertiary N atom with the π-electron system of the pyrimidine ring is observed. The molecular packing is influenced by the weak C-H…O intermolecular hydrogen bonds.
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Sudhakar PARTHASARATHY, Surajit BANERJEE, Krishnamurthi VYAS, J Moses ...
2006 Volume 22 Pages
x55-x56
Published: 2006
Released on J-STAGE: May 02, 2006
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The crystal structure of 2-(1-methyl-1
H-3-indolyl)nicotinonitrile C
15H
11N
3 was determined. The compound crystallizes from a methanol and chloroform solvent mixture in the triclinic system, space group
P1 with the following unit-cell parameters:
a = 7.018(1),
b = 8.399(1),
c = 20.362(3)Å,
α = 90.731(4)°,
β = 90.149(5)°,
γ = 103.467(6)° ,
Z = 4,
V = 1167.1(3)Å
3. The crystal structure was solved by direct methods and refined by full-matrix least squares to a final
R-value of 0.058 with 4338 unique reflections.
View full abstract
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Sundari BHASKARAN, S. SELVANAYAGAM, D. VELMURUGAN, K. RAVIKUMAR, N. AR ...
2006 Volume 22 Pages
x57-x58
Published: 2006
Released on J-STAGE: May 02, 2006
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The title compound, C
36H
33N
3O
5, crystallizes in the space group
P1 with one molecule in the asymmetric unit. The pyrrolidine ring adopts a twisted conformation. The molecular structure is stabilized by intramolecular C-H…O interactions and the crystal packing is determined by the intermolecular N-H…O hydrogen bonds and C-H…O interactions.
View full abstract
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Kuniaki ITOH, Jun-ichi TANAKA, Jun-ichiro SETSUNE, Kazuo EDA
2006 Volume 22 Pages
x59-x60
Published: 2006
Released on J-STAGE: May 02, 2006
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The crystal structure of bis(2-diethoxycarbonylethanyl-8-hydroxyquinolinato-
N,
O) copper(II), Cu(C
17H
18NO
5)
2, was determined by X-ray diffraction analysis. The compound crystallizes in the triclinic space group
P1 with two molecules per unit cell. The cell parameters are
a = 6.0177(10)Å,
b = 14.307(2)Å,
c = 19.848(3)Å,
α = 100.423(3)°,
β = 97.987(3)°,
γ = 93.783(3)°,
V = 1657.1(5)Å
3. The structure was refined to the final
R1 = 0.060, and revealed that a 2:1 complex between the ligand and Cu(II) is formed. The geometry of Cu(II) is distorted square-planar.
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Kazuko KOHARA, Hohjun TACHIBANA, Izumi FUNAE, Makoto KAMEZAWA, Takehik ...
2006 Volume 22 Pages
x61-x62
Published: 2006
Released on J-STAGE: May 02, 2006
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The crystal structure of sodium guaiazulene sulfonate hemihydrate was determined by X-ray diffraction analysis. The compound crystallizes in the monoclinic space group
P2
1/
c with four molecules per unit cell. The cell parameters are
a = 23.271(4)Å,
b = 7.1965(12)Å,
c = 8.8334(15)Å,
β = 93.178(3)°,
V = 1477.0(4)Å
3. The structure was refined to the final
R1 = 0.092. It reveals that the compound has the layer structure, stacked with hydrophobic interactions at one side and Coulomb interactions at the other side.
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Zeynep GÜLTEKIN, Hacer BAYRAK, Wolfgang FREY, Tuncer HÖKELEK
2006 Volume 22 Pages
x63-x64
Published: 2006
Released on J-STAGE: May 02, 2006
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The title compound, C
6H
12O
5S
2, consists of a six-membered dithiane ring with two O atoms bonded to each S atom and a methoxymethyl group at the 2-position. It belongs to the space group
P2
1/
c with cell parameters
a = 10.1876(19),
b = 5.9263(11),
c = 15.835(2)Å,
β = 95.930(13)°. Short intra- and intermolecular C-H…O contacts are observed.
View full abstract
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Tuncer HÖKELEK, Orhan BÜYÜKGÜNGÖR, Elif Ece I ...
2006 Volume 22 Pages
x65-x66
Published: 2006
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In the title complex, C
24H
32N
2O
6Pd, Pd(II) ion, is coordinated bidentately to N atoms of the macroring and monodentately to O atoms of the acetate ligands, in a square-planar geometry. The etheric oxygens of the macroring are not bonded to the metal ion, but are interestingly bonded to each hydrogen of the benzylic CH
2 groups. On the other hand, beside of the intramolecular C-H…O bonds, the strong intramolecular N-H…O hydrogen bonds, between the two acetate oxygens and N atoms of the macroring, also contribute to stabilization of the molecular structure. It belongs to the space group
Pbca with cell parameters
a = 14.1507(6),
b = 16.9866(7),
c = 20.4128(11)Å.
View full abstract
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Wen-Hua WANG, Zhong-Lu YOU, Wei DOU, Wei-Sheng LIU, Da-Qi WANG
2006 Volume 22 Pages
x67-x68
Published: 2006
Released on J-STAGE: May 02, 2006
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The crystal structure of CuL
2 (HL = 3-hydroxy-
N′-(propan-2-ylidene)-2-naphthohydrazide) was determined by an X-ray diffraction method. The coordination polyhedron around the copper(II) is better described as a elongated octahedron. The four-coordinated Cu(II)L
2 fragments are arranged
via weak intermolecular Cu-O and C-H…π interactions; as a result, a 1D ladder type chain was constructed running along the
a direction. Furthermore, 2D ladder type frameworks were facilitated by weak non-covalent interactions, such as C-H…O, C-H…π and π…π interactions.
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Mino R. CAIRA, Takeshi FUJIWARA, Koichi TANAKA
2006 Volume 22 Pages
x69-x70
Published: 2006
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The inclusion ability of
N,
N′,
N″-trihydroxyisocyanuric acid
1 as a host is reported together with the X-ray crystal structure of a representative inclusion compound with formula
1·3(
N,
N-dimethylformamide). The latter crystallizes in the triclinic space group
P1 with unit-cell parameters
a = 8.7938(1)Å,
b = 10.5744(2)Å,
c = 10.8076(2)Å,
α = 91.731(1)°,
β = 109.910(1)°,
γ = 95.785(1)° and
Z = 2. Each solvent molecule is hydrogen bonded
via its carbonyl oxygen atom to one of the hydroxyl groups of
1. Crystal packing was used to rationalise the observed thermal desolvation behavior of the inclusion compound.
View full abstract
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G. Y. S. K. SWAMY, K. RAVIKUMAR
2006 Volume 22 Pages
x71-x72
Published: 2006
Released on J-STAGE: May 18, 2006
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In the title compound, C
22H
19N
2OCl, the dihydropyridimine (DHPM) ring adopts a
sofa conformation. The chlorophenyl moiety is oriented perpendicular with respect to the hetero ring. The molecules are joined by N-H…O intermolecular hydrogen bonds, forming centrosymmetric dimers. The crystal packing is stabilized by weak C-H…O, N-H…Cl and C-H…π (arene) interactions.
View full abstract
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Mehmet AKKURT, Sema ÖZTÜRK YILDIRIM, M. Kasim SENER, Makbule ...
2006 Volume 22 Pages
x73-x74
Published: 2006
Released on J-STAGE: May 18, 2006
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The title compound, C
19H
22N
2O
5, was synthesized by the reaction of 4-nitrophthalo-nitrile and di-
tert-butylmalonate. The compound crystallizes in orthorhombic
P2
12
12
1;
a = 5.9831(1)Å,
b = 14.7805(2)Å,
c = 23.0614(3)Å. The
tert-butyl groups show large amplitudes of internal rotational motion. In the solid state, the molecules are linked by O-H…O hydrogen bonds to form an infinite one-dimensional chain along the
a-axis.
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Isao FUJII, Tetsuro WATADANI, Shigeki NUNOMURA, Yukio TAKAHASHI
2006 Volume 22 Pages
x75-x76
Published: 2006
Released on J-STAGE: May 18, 2006
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The crystal structures of (
R)-2-phenoxypropionic acid (
R-PPA)-2-aminobutanoic acid (ABA) diastereomers were determined, and correlated with their physicochemical properties. The
R-PPA molecules have a previous structure, but the enantio-ABA molecules have a novel restricted structure. The molecular-recognition systems show a similar form, except for the orientations of the ethyl groups against the phenyl groups.
View full abstract
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Isao FUJII, Victor V. BOROVKOV, Yoshihisa INOUE
2006 Volume 22 Pages
x77-x78
Published: 2006
Released on J-STAGE: May 18, 2006
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The crystal structure of ethane-bridged bis(Zinc octaethylporphyrin) has been determined. The molecules display a twisted bivalve shape, which are organized into nano-rods in the crystal. The molecules are stacked infinitely with π-π interactions. It is considered that the interactions are fairly strong because of its higher decomposition point.
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Mohammad K. ROFOUEI, Mojtaba SHAMSIPUR, Mahmood PAYEHGHADR
2006 Volume 22 Pages
x79-x80
Published: 2006
Released on J-STAGE: May 18, 2006
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The crystal structure properties of triazene-1,3-di(2-methoxyphenyl) are: ortorhombic, space group
Pbca with
a = 10.897(2),
b = 15.078(3),
c = 16.471(3)Å,
Z = 8,
R1 = 0.0409 and
wR2 = 0.0922 with 2060 reflections (
I > 2
σ(
I)).
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Saeed DEHGHANPOUR, Fresia MOJAHED
2006 Volume 22 Pages
x81-x82
Published: 2006
Released on J-STAGE: May 18, 2006
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The title complex, [Cu(
μ-I)(nca
2dab)]
2 [nca
2dab is
N,
N′-bis(2-nitrocinnamaldehyde)-2,2′-diiminobiphenyl], has a dimeric structure where two copper(I) ions are doubly bridged by iodo substituents. The nca
2dab acts as a bidentate ligand, coordinating
via two N atoms to the copper. The coordination geometry around the Cu atom is a distorted tetrahedron formed by two N atoms from a bidentate diimine ligand and two iodio substituents. The distance between the two Cu atoms is 2.6971(7)Å. The ligand adopts a
Z,
Z configuration.
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Yu-Xi SUN
2006 Volume 22 Pages
x83-x84
Published: 2006
Released on J-STAGE: May 18, 2006
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The crystal of the complex [Co(DMP)
2(N
3)]·ClO
4 (DMP = 2,4-dichloro-6-[(2-dimethylaminoethylimino)methyl]phenol) was synthesized and its structure characterized by an X-ray single-crystal determination. The complex consists of a [Co(DMP)
2(N
3)]
+ cation and a disordered perchlorate anion. The Co
III atom in the cationic moiety is six-coordinated in an octahedral coordination.
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K. PALANI, M. POORNACHANDRAN, R. RAGHUNATHAN, M. NETHAJI, M. N. PONNUS ...
2006 Volume 22 Pages
x85-x86
Published: 2006
Released on J-STAGE: May 18, 2006
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The title compound (C
28H
27NO
2) crystallizes in monoclinic space group
P2
1/
c with a molecule in the asymmetric unit. The structure was solved by direct methods and refined by full-matrix least-squares procedures to final
R = 0.0788 and
wR = 0.2022 using 3083 reflections. The pyrrolidine and cyclohexane rings adopt
envelope and
chair conformations, respectively. The molecules are stabilized by C-H…O type intra and intermolecular interactions in addition to van der Waals forces.
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Aliakbar Dehno KHALAJI, Mehdi AMIRNASR, Katsuyuki AOKI
2006 Volume 22 Pages
x87-x88
Published: 2006
Released on J-STAGE: May 18, 2006
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The title complexes, [Ag(bpy)(PPh
3)]X (
1: X = PF
6,
2: X = ClO
4), contain a bidentate 2,2′-bipyridine (bpy) ligand and a monodentate triphenylphosphine (PPh
3) ligand, which were determined by the X-ray diffraction method. The coordination geometry of the Ag atom is distorted trigonal with two N atoms from 2,2′-bipyridine and one P atom from triphenylphosphine (PPh
3).
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Pankaj BANDHORIA, Vivek K. GUPTA, Pardeep KUMAR, Naresh K. SATTI, Prab ...
2006 Volume 22 Pages
x89-x90
Published: 2006
Released on J-STAGE: May 18, 2006
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5
β,6
β-Epoxy-4
β,27-dihydroxy-1-oxo-22
R-witha-2,24-dienolide (C
28H
38O
6) was isolated from the leaves of
Withania somnifera. The structure of the withanolide was established by spectral analysis and X-ray diffraction studies as withaferin A. The compound crystallizes in the orthorhombic space group
P2
12
12
1 with unit-cell parameters:
a = 10.697(1),
b = 12.344(2),
c = 18.714(2)Å,
Z = 4. The crystal structure was solved by direct methods and refined to
R = 0.0382 for 2471 observed reflections. The ring conformations are: A
twist-boat, B
half-chair, C
chair, D
envelope, E
distorted sofa. The twist along the length of the steroid nucleus is negligible [C19-C10…C13-C18 = 1.9°]. Both hydroxy groups are involved in hydrogen bonding.
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Pankaj BANDHORIA, Vivek K. GUPTA, D. K. GUPTA
2006 Volume 22 Pages
x91-x92
Published: 2006
Released on J-STAGE: May 18, 2006
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(25
R)-Spirost-5-en-3
β-acetate (C
29H
44O
4) crystallizes in monoclinic space group
P2
1 with
a = 14.559(2),
b = 6.212(3),
c = 14.847(7)Å;
β = 100.22(2)°,
Z = 2,
Dcal = 1.148 Mg/m
3. The structure was solved by direct methods and refined by full-matrix least-squares procedures to a final
R-value of 0.0513 for 2176 observed reflections. The six-membered A, C and F rings adopt the
chair conformation, whereas rings B and D are in the
half-chair conformation. Ring E is in the
envelope conformation. The A/B ring junction is
quasi-trans, while ring junctions B/C and C/D are
trans fused about the C8-C9 and C13-C14 bonds, respectively. The D/E ring junction is
cis. The molecule is slightly convex towards the
β side, with an angle of 10.7(2)°. Cohesion of the molecules in the unit cell can be attributed to van der Waals interactions.
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Mehmet ASLANTAS, A. Özgür ÖZSAR, Nurettin BALCIOGLU, En ...
2006 Volume 22 Pages
x93-x94
Published: 2006
Released on J-STAGE: May 18, 2006
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The present crystal structure of 2,12-dichlorocyclododecanone was determined by X-ray analysis. The 12-membered ring has 422-symmetry, containing eight torsion angels having synclinal conformations of approximately 65° (average 68.05°); the other four torsion angels conforming antiperiplanar conformations are the average of 160.7°, respectively. The effects of the carbonyl group and the Cl atoms on the conformation of the ring are also discussed.
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S. NAVEEN, Venu T. DEVAIAH, S. SHASHIKANTH, Sridhar M. ANANDALWAR, Jav ...
2006 Volume 22 Pages
x95-x96
Published: 2006
Released on J-STAGE: May 18, 2006
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The title compound was synthesized and the structure was investigated by X-ray methods. The compound crystallizes in orthorhombic crystal class in the space group
Pbca with cell parameters
a = 7.0310(4)Å,
b = 16.0290(17)Å,
c = 18.602(2)Å,
Z = 8. The structure exhibits inter and intramolecular hydrogen bonds of the type C-H…O and O-H…O.
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Lakshmi SRINIVASAN, Sridhar M. ANANDALWAR, J. Shashidhara PRASAD, Dine ...
2006 Volume 22 Pages
x97-x98
Published: 2006
Released on J-STAGE: May 18, 2006
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The title compound crystallizes in triclinic crystal class under the space group
P1. The molecular structure shows the presence of intermolecular hydrogen bonds of the type N-H…O and C-H…O in the crystal packing.
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Doreswamy Sundararaj IYENGAR, Chandagirikoppal V. KAVITHA, BASAPPA, S ...
2006 Volume 22 Pages
x99-x100
Published: 2006
Released on J-STAGE: May 18, 2006
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The compound 3-(2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl)-2-(4-hydroxyphenyl)-thiazolidin-4-one was synthesized. The compound crystallizes in the monoclinic system with space group
P2
1/
n, and the cell parameters are
a = 12.297(8)Å,
b = 12.153(8)Å,
c = 14.399(8)Å,
β = 93.329(3),
Z = 4,
V = 2148.2(2)Å
3. The final residual factor is
R1 = 0.0648. The compound exhibits an intermolecular hydrogen bonds of type O-H…O.
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