-
S. NIRMALA, E. THEBORAL SUGI KAMALA, L. SUDHA, E. RAMESH, R. RAGHUNATH ...
2008 Volume 24 Pages
x101-x102
Published: 2008
Released on J-STAGE: July 03, 2008
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The title compound (C
22H
18N
2O
4) crystallizes in monoclinic space group
P2
1/
n with one-half molecule in the asymmetric unit. The complete molecule is generated by inversion symmetry. The structure was solved by direct methods and refined by full-matrix least-squares procedures to a final
R = 0.046 and
wR = 0.1187 using 2766 reflections. The piperazine and the cyclo-pentane rings adopt
chair and
envelope conformations, respectively. The molecular packing is stabilized by C-H…O and
π…
π interactions in addition to van der Walls forces.
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Uzma ASHIQ, Rifat Ara JAMAL, Mohammad MAHROOF-TAHIR, Anastasios D. Ker ...
2008 Volume 24 Pages
x103-x104
Published: 2008
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The title compound was synthesized and its crystal structure was determined by X-ray diffraction analysis. The compound is monoclinic, space group
P2
1/
a with
Z = 4. The unit-cell dimensions are
a = 12.287(2)Å,
b = 3.8287(5)Å,
c = 16.0936(19)Å,
β = 97.409° and
V = 750.77(19)Å
3. The
R value is 0.0313 for 1223 observed reflections. Intermolecular hydrogen bonds of the type N-H…O and N-H…N were observed in the structure.
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Erol ASKER, John MASNOVI
2008 Volume 24 Pages
x105-x106
Published: 2008
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In the title electron donor-acceptor complex, C
28H
24N
2·2C
6N
4, the 9,9′-diethyl-3,3′-di-9
H-carbazolyl molecule lies on a crystallographic inversion center, which is located at the mid-point of the C3-C3′ bond. In the crystal structure, two TCNE molecules are located above and below the central rings of the two neighboring donor molecules. The donor molecule is planar with a dihedral angle between the planes of each carbazolyl groups of 0.08(8)°. The molecular packing is stabilized mainly by donor-acceptor
π-
π interactions.
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Nermin DOGAN, Süheyla ÖZBEY, Yilmaz TURGUT
2008 Volume 24 Pages
x107-x108
Published: 2008
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A new type of inclusion compound, (
S)-2-isopropyl-
N-benzyl-4,7,10,13-tetraoxa-8,9-benzo-1-azacyclopentadec-8-ene (
1), has been prepared and studied by single-crystal X-ray diffraction techniques. The compound crystallizes in monoclinic space group
C2 with cell dimensions
a = 19.411(2),
b = 6.1904(9),
c = 19.780(2)Å,
β = 110.166(9)°,
Z = 4. The crown ether oxygen atoms are nearly coplanar and the N1 atom deviates from the oxygen mean plane by -0.755 Å. The C-O and C-C distances of the 15-membered ring average 1.405(7) and 1.506(7)Å, while the O-C-C and C-O-C angles average 110.8(5)° and 116.6(4)°. The N-C-C and C-N-C angles average 112.4(4)° and 115.1(4)°.
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Timo GANS-EICHLER, Cameron JONES, Simon ALDRIDGE, Andreas STASCH
2008 Volume 24 Pages
x109-x110
Published: 2008
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The crystal-structure properties of [(I
3Ga)
2{P(C
6H
2Bu
t3-2,4,6)CH}
2]·(C
7H
8) are: monoclinic, space group
C2/
c with
a = 17.506(4)Å,
b = 14.799(3)Å,
c = 22.861(5)Å,
β = 104.85(3)°,
V = 5725(2)Å
3,
Z = 4,
R1 = 0.0735,
wR2 = 0.1781 for 3869 reflections (
I > 2
σ(
I)). The title compound represents the first structurally characterized complex of a 1,4-diphosphabutadiene with a main-group metal fragment.
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Seyyed Javad SABOUNCHEI, Vida JODAIAN, Alireza DADRASS, Hassan NEMATTA ...
2008 Volume 24 Pages
x111-x112
Published: 2008
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The crystal structure of a colorless complex of [CH
3OC
6H
4COCH
2P(
p·tolyl)
3]
2[Hg
2I
6] was determined by the X-ray diffraction method. All atoms occupy general positions in the monoclinic space group,
P2
1/
n and have the following unit-cell dimensions:
a = 11.5933(11)Å,
b = 22.842(3)Å,
c = 12.2271(12)Å,
β = 103.719(8)°,
Z = 4 and
V = 3145.5(6)Å
3. The final
R value is 0.0582.
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P. KUMARADHAS, A. David STEPHEN, K. A. NIRMALA, N. KALYANAM
2008 Volume 24 Pages
x113-x114
Published: 2008
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The crystal structure of bis-
cis-(+)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-3-yl-oxalate was determined as being orthorhombic, space group
P2
12
12
1, with lattice parameters
a = 9.654(6)Å,
b = 13.256(1)Å,
c = 25.841(3)Å,
Z = 4,
V = 3307.1(6)Å
3 and
Dcalc = 1.355 Mg m
-3. The compound crystallizes with one disordered water molecule. The carbonyl groups in the oxalate bridge are
trans oriented, as indicated by the torsion angle [O(20)=C(19)-C(19′)=O(20′)] -151.5(3)°. Both 1,5-benzothiazepine rings in the molecule adopt a similar type of twist boat conformation.
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A. LALITHA, A. David STEPHEN, K. PITCHUMANI, C. SRINIVASAN, P. KUMARAD ...
2008 Volume 24 Pages
x115-x116
Published: 2008
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The title compounds (C
14H
11O
2SBr) are
cis and
trans-isomers of 4-bromophenylstyrylsulfone. These compounds crystallize in monoclinic space groups
C2/
c and
P2
1/
c, respectively. The cell parameters for
cis are:
a = 14.866(2)Å,
b = 14.133(3)Å,
c = 12.830(2)Å,
β = 90.58(1)°,
Z = 8,
V = 2657.88(4)Å
3 and
Dcalc = 1.615 Mg m
-3;
trans are:
a = 6.964(1)Å,
b = 10.840(1)Å,
c = 17.583(10)Å,
β = 94.09(2)°,
Z = 4,
V = 1324.1(10)Å
3 and
Dcalc = 1.621 Mg m
-3. The geometries of both molecules were compared. In the
cis-isomer, the groups at C(7) and C(8) are
cis oriented, as the torsion angle is 3.9(1)°, whereas in the
trans-isomer the angle is 175.2(3)°, indicating that, the orientation is
trans. The
cis-isomer molecule exhibits a folded structure compared to the
trans-isomer. In the molecular packing, two adjacent molecules form square-shaped structures in the crystal. This is one of the important facets of the molecular packing.
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Marjan HEMATYAR, Mohammad K. ROFOUEI
2008 Volume 24 Pages
x117-x118
Published: 2008
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The crystal structure of [BrHgL], L = 1,3-bis(2-methoxybenzene) triazene was determined by X-ray diffraction. The complex crystallizes in the triclinic system: space group
P1 with
a = 10.8481(5),
b = 11.3836(6),
c = 14.0304(11)Å,
α = 100.904(1)°,
β = 99.091(5)°,
γ = 106.451(5)°,
V = 1589.98(18)Å
3,
Z = 4. The structure was solved by full-matrix least-squares on
F2, and had a refined
R value of 0.0565 for 7123 reflections (
I > 2
σ(
I)). The Hg atom is coordinated by a Br
- ion as well as two N atoms of the title ligand in a planar geometry.
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Waldemar WYSOCKI, Dariusz MATOSIUK, Zbigniew KARCZMARZYK, Kalevi PIHLA ...
2008 Volume 24 Pages
x119-x120
Published: 2008
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The title compound, C
13H
9ClN
4O, crystallizes in the orthorhombic system, space group
P2
12
12
1, with cell constants
a = 7.0902(2)Å,
b = 13.1021(7)Å,
c = 13.4033(7)Å and
Z = 4. In the crystal, the molecules are linked by a combination of C-H…N and C-H…O intermolecular hydrogen bonds and
π-
π interactions of imidazopyrimidine and phenyl systems into a continuous three-dimensional framework structure.
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Hiroaki YAMANAKA, Goro HIHARA, Hiroshi MIYAMAE
2008 Volume 24 Pages
x121-x122
Published: 2008
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The title complex is triclinic,
P1,
a = 7.585(3),
b = 7.688(4),
c = 12.737(6)Å,
α = 83.22(2),
β = 73.731(19),
γ = 63.38(2)°,
V = 637.4(5)°
3, and
Z = 2 at -150°C;
R is 0.0242. The structure shows a one-dimensional polymer extending along [111] with two crystallographically independent inversion centers lying at the middle of the C-C bond of each bridging ethylenediamine (en). The Pb atom is coordinated by two I atoms and four N atoms: the two I atoms occupy a
cis-position, the two N atoms of a chelating en lie opposed to them, and the four atoms lie in a plane containing the Pb atom; the other two N atoms of the bridging en ligands lie at both axial positions. Since the I-Pb-I angle is 144.57(1)° wide, the Pb environment geometry might be described as being a distorted pentagonal bipyramid, providing a stereochemically active lone pair of electrons of the Pb atom may occupy one coordination site.
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Manfredo HÖRNER, Bernardo Almeida IGLESIAS, Paulo Roberto MARTINS ...
2008 Volume 24 Pages
x123-x124
Published: 2008
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The reaction between [Ag(PPh
3)
3(NO
3)] and 1-phenyl-3-(4-nitrophenyl) triazene 1-oxide desprotonated with potassium hydroxide in methanol yields crystalline [Ag(O
2NC
6H
4NNNOC
6H
5)(C
18H
15P)
2], the first mononuclear triazenido 1-oxide complex of Ag(I) including a [Ag(PPh
3)
2]
+ fragment. In the asymmetric title complex, the coordination geometry about the Ag
+ ion is tetrahedral, with one triazenido 1-oxide anion acting as a bidentate ligand (four-electron donor). The crystal belongs to the monoclinic system, space group
P2
1/
c with the cell dimensions
a = 19.551(7),
b = 19.342(9),
c = 11.124(6)Å,
β = 95.453(15)°,
V = 4187(3)Å
3,
Z = 4.
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Gholam Hossein SHAHVERDIZADEH, Shahla MASOUDIAN, Ali Akbar SOUDI, Ali ...
2008 Volume 24 Pages
x125-x126
Published: 2008
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The crystal structure of [Pb(
μ3-Nic)
2]
n, (HNic = 4-nicotinic acid) is orthorhombic, space group
Pbcn with
a = 16.595(1),
b = 10.028(1),
c = 14.635(1)Å and
Z = 2. The crystal structure was solved by direct methods and refined by full-matrix least squares to final values of
R1 = 0.0277 and
wR2 = 0.0609 with 3553 reflections
I >2
σ(I). The lead(II) ion in [Pb(
μ3-Nic)
2]
n is eight-coordinate and the direction of the Pb-N and Pb-O bonds shows that the coordination around the lead(II) ion is holodirected.
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Tuncer HÖKELEK, Yavuz ERGÜN
2008 Volume 24 Pages
x127-x128
Published: 2008
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The title compound, C
16H
13N, consists of a benzoato group fused to the
c-face of the carbazole skeleton, in which the benzoato fused ring of the carbazole skeleton is not planar and adopts a twisted conformation. It belongs to the space group
Pbca with cell parameters
a = 7.6863(10),
b = 20.5484(9) and
c = 15.0296(11)Å.
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Zhen-Zhong YAN, Yu TANG, Wei DOU, Hong-Rui ZHANG, Min-Yu TAN
2008 Volume 24 Pages
x129-x130
Published: 2008
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A solid complex of neodymium picrate with a novel amide-type tripodal ligand, 2,2′,2″-nitrilotris(3′-pyridinyl-methylaminoformylphenoxyl)triethylamine (L), has been prepared. An X-ray single-crystal diffraction analysis indicates that this complex was crystallized in the trigonal system, space group
R3
c with parameters
a =
b = 15.430(7)Å,
c = 112.448(7)Å,
α =
β = 90.00°,
γ = 120.00°,
V = 23187(2)Å
3,
Z = 6. The structure was refined to a final
R1 of 0.0463. The coordination number around Nd(III) was nine, and the geometry of Nd(III) is a distorted tricapped trigonal prism. In the structure of the title complex, a 2D supramolecular network is formed by hydrogen bonds interactions.
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Aliakbar Dehno KHALAJI, Yan ZHANG, Somayyeh MOJDEKANLOU
2008 Volume 24 Pages
x131-x132
Published: 2008
Released on J-STAGE: August 01, 2008
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In the monomeric complex [Zn((3,4,5-MeO-ba)
2en)Br
2], the Zn(II) atom has a distorted tetrahedral coordination, and is covalently bonded to two Br atoms and datively bonded to two N atoms of the Schiff base. The crystal structure of this complex was determined by X-ray crystallography from single crystal data.
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S. NATARAJAN, K. UTHAYASANKARI, J. SAKTHIKUMARAN, V. VIJAYAKUMAR, C. G ...
2008 Volume 24 Pages
x133-x134
Published: 2008
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The crystal structure of the title compound, C
20H
19NOCl
2, confirms that the bicyclic ring system adopts the
chair-chair conformation. The phenyl rings are equatorially disposed with respect to the bicyclic ring. There is a slight deviation from the chair conformation in the case of the cyclohexane ring.
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Ilia MANOLOV, M. STRÖBELE, H.-Jürgen MEYER
2008 Volume 24 Pages
x135-x136
Published: 2008
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The title compound, 4-hydroxy-3-[(2-oxo-2
H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methyl]chromen-2-one, C
28H
22NO
9, as a dimer C
56H
44O
18 Mr = 1004.91, crystallizes in the monoclinic system, space group
C2/
c with cell constants:
a = 3599.8(4)pm,
b = 900.7(1)pm,
c = 1460.7(2)pm,
β = 98.02(1)°,
V = 4.690(1)nm
3,
Z = 4. The 4-hydroxycoumarins are intra-molecularly hydrogen bonded between hydroxyls and carbonyls.
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Aliakbar Dehno KHALAJI, Richard WELTER, Mehdi AMIRNASR, Aliou Hamady B ...
2008 Volume 24 Pages
x137-x138
Published: 2008
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In the title compound, [Cu(Meca
2en)(CH
3CN)I] (Meca
2en =
N,
N′-bis(
α-methylcinnamaldehyde)ethylenediamine), the Cu(I) atom has a distorted tetrahedral coordination. The organic Schiff-base ligand is bidentate, coordinating the copper(I) atom
via two imine N atoms.
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Aliakbar Dehno KHALAJI, Richard WELTER, Mehdi AMIRNASR, Aliou Hamady B ...
2008 Volume 24 Pages
x139-x140
Published: 2008
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N-[(
E)-3,3-diphenylprop-2-enylidene]-1-(4-aminophenyl)ethanone, (Phca-acan), was obtained from a condensation reaction of
β-phenylcinnamaldehyde and
p-acetylaniline and characterized by single-crystal X-ray diffraction. In this compound, the central C=N bond length is 1.275(2)Å, which conforms to the value for a double bond. The molecule is slightly non-planar with the substituents adopting an
E configuration with respect to the imine C=N bond.
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Wajda SMIRANI, Mohamed RZAIGUI
2008 Volume 24 Pages
x141-x142
Published: 2008
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The title compound, [2,6-(C
2H
5)
2C
6H
3NH
3]Cl, crystallizes in the monoclinic space group
P2
1/
a with
a = 8.633(2),
b = 20.530(2),
c = 12.129(2)Å,
β = 90.48(2)° and
V = 2149.4(6). The atomic arrangement can be described as corrugated ribbons, containing ammonium groups of the organic cations and chloride anions. As well as electrostatic and van der Walls interactions, the component species interact through multiple hydrogen bonds.
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Nathalie MAHÉ, Béatrice NICOLAÏ, René CEOLIN
2008 Volume 24 Pages
x143-x144
Published: 2008
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The biclotymol-DMF 1:1 solvate crystallizes in the triclinic system, space group
P1, with the following unit-cell parameters:
a = 9.141(2)Å,
b = 11.636(10)Å,
c = 13.279(4)Å,
α = 64.50(4)°,
β = 77.39(2)°,
γ = 79.74(5)°,
V = 1238.4(12)Å
3 and
Z = 2. The crystal structure was solved with a final
R = 0.0721 using 2625 independent reflections. An O-H…O hydrogen bond links each biclotymol molecule to a DMF molecule. The structure was solved as part of a more general investigation into the polymorphism and solvation of biclotymol, a pulmonary antiseptic.
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Aydin TAVMAN
2008 Volume 24 Pages
x145-x146
Published: 2008
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The crystal structure of
N-(4-chloro-2-hydroxyphenyl)-5-methoxysalicylaldimine was determined by X-ray diffraction at room temperature. The compound crystallizes in an orthorhombic system, and space group
P2
12
12
1. Unit-cell dimensions are the following:
a = 7.3074(5)Å,
b = 8.3166(7)Å,
c = 21.782(2)Å,
V = 1323.7(2)Å
3,
Z = 4. The molecule is non-planar and twisted around a C-N single bond. The molecule has N…H-O type intramolecular hydrogen bonding.
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Valtair M. CRISTANTE, Antonio E. MAURO, Adelino V. G. NETTO, Regina C. ...
2008 Volume 24 Pages
x147-x148
Published: 2008
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The triphenylphosphine (PPh
3) displaces the acetonitrile from [PdCl
2(CH
3CN)
2], and subsequent addition of the potassium cyanate causes substitution of the chloro ligand by NCO
- to yield
trans-[Pd(NCO)
2(PPh
3)
2]. The complex was characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. The title compound was crystallized in a triclinic system, space group
P1 with
a = 9.213(3)Å,
b = 9.781(7)Å,
c = 10.483(5)Å,
α = 111.39(5)°,
β = 93.49(3)°,
γ = 103.81(4)°,
V = 845.0(1)Å
3,
Z = 1. The coordination geometry around Pd(II) in this complex is nearly square-planar, with the ligands in a
trans relationship.
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Antonio C. MORO, Antonio E. MAURO, Alexandre O. LEGENDRE, Adelino V. G ...
2008 Volume 24 Pages
x149-x150
Published: 2008
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The dinuclear azido-palladium(II) complex [Pd
2(N
3)
4(PPh
3)
2(
μ-ted)], where PPh
3 = triphenylphosphine and ted = triethylenediamine, was synthesized and characterized by single-crystal X-ray diffraction. The title compound was crystallized in a triclinic system, space group
P1 with
a = 11.5875(2)Å,
b = 13.0817(3)Å,
c = 15.2618(3)Å,
α = 93.306(2)°,
β =110.040(1)°,
γ = 98.486(1)°,
V = 2134.95(8)Å
3,
Z = 2. Each Pd(II) center displays a distorted square-planar coordination environment formed by two N atoms from two
trans terminally coordinated azido groups, one P atom from the phosphine and one N atom from the bridging ted ligand.
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Isin KILIÇ, Aysen AGAR, Ferda ERSAHIN, Samil ISIK
2008 Volume 24 Pages
x151-x152
Published: 2008
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The title compound, (
E)-4-bromo-2-[(4-hydroxyphenyl)iminomethyl]phenylen-1-olate, C
13H
10BrNO
2, is in a zwitterionic form with a strong intramolecular N
+-H…O
- hydrogen bond. The title compound crystallizes in the monoclinic space group
P2
1/
c with the following unit-cell parameters:
a = 12.6746(11)Å,
b = 12.8195(15)Å,
c = 7.1576(7)Å,
β = 94.993(7)° and
V = 1158.6(2)Å
3. The crystal structure of this compound was solved by direct methods and refined to a final
R = +0.0362 for 2285 reflections with
I > 2
σ(
I).
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Sema ÖZTÜRK YIDIRIM, Mehmet AKKURT, Zülbiye ÖNAL, ...
2008 Volume 24 Pages
x153-x154
Published: 2008
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The title compound, C
28H
25N
3OS, has has been characterized by single-crystal X-ray diffraction. It crystallizes in the triclinic system, space group
P1 (No. 2),
a = 10.058(3),
b = 10.318(3),
c = 13.560(3)Å,
α = 98.694(19),
β = 107.418(19),
γ = 107.069(19)°;
V = 1238.7(5)Å
3 and
Dx = 1.211 Mg m
-3,
Z = 2. The structure was refined to an
R-value of 0.0573 for 1749 observed reflections using three-dimensional X-ray diffraction data. The pyrimidine ring is slightly distorted from planarity, with the maximum deviation from the mean plane of -0.072(4)Å for atom C1. The molecules contain four rings that are not coplanar. The dihedral angles between three benzene rings are 44.6(3), 77.6(2) and 87.4(2)°. The three benzene rings form dihedral angles of 31.4(2), 57.4(2) and 61.2(2)° with the pyrimidine ring. No classic hydrogen bonds were found.
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Robert A. GOSSAGE, Hilary A. JENKINS
2008 Volume 24 Pages
x155-x156
Published: 2008
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The title material was synthesised by the treatment of [Zn{S
2CN(Et)(Ph)}
2]
2 with excess 2-ethyl-2-oxazoline. The crystal system is triclinic (space group
P1 and
Z = 2). The unit-cell dimensions are
a = 10.2310(4)Å,
b = 11.4701(5)Å,
c = 12.1981(5)Å with
α = 85.952(1)°,
β = 75.174(1)°,
γ = 72.442(1)° and
V = 1319.30(9)Å
3. The final
R value is 0.0248 (4641 observed reflections:
I > 2
σ(
I)). The Zn atom coordinates with two chelating dithiocarbamato groups and one
N-bound oxazoline.
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Tianzhi YU, Yuling ZHAO, Peng ZHANG, Hui ZHANG, Duowang FAN, Wenkui DO ...
2008 Volume 24 Pages
x157-x158
Published: 2008
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The crystal structure of Ir(1-piq)2(pic-3-OH) (1-piq = 1-phenylisoquinoline, pic-3-OH = 3-hydroxypicolinate) was determined by X-ray crystallography. The complex crystallized in the triclinic system, space group
P1, with
a = 10.6477(7)Å,
b = 11.9891(8)Å,
c = 14.7693(9)Å,
α = 94.758(1)°,
β = 105.936(10)°,
γ = 114.140(1)°,
Z = 2,
V = 1612.92(18)Å
3, and
R = 0.0305. The crystal structure consists of a distorted octahedral geometry around the iridium.
View full abstract
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Mehmet AKKURT, Serife Pinar YALÇIN, Orhan BÜYÜKGÜ ...
2008 Volume 24 Pages
x159-x160
Published: 2008
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The title compound, C
12H
13NO
4S
3, crystalizes in the monoclinic
P1 space group. The unit-cell parameters of the title compound are
a = 6.7172(6),
b = 8.7344(8),
c = 13.9471(13)Å,
α = 99.471(7),
β = 91.206(7),
γ = 104.792(7),
V = 778.68(13)Å
3,
Dx = 1.414 g/cm
3,
Z = 2,
T = 293 K. The crystal structure is stabilized by inter and intramolecular C-H…O hydrogen-bonding interactions.
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G. Y. S. K. SWAMY, K. RAVIKUMAR
2008 Volume 24 Pages
x161-x162
Published: 2008
Released on J-STAGE: September 05, 2008
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In the title compound, C
22H
30N
5O
7Cr, the chromium(III) atom adopts a distorted octahedral geometry. At the metal atom the ligands (L) are oriented in a meridional fashion. In the crystal lattice, the molecules are linked
via N-H…O, O-H…O and C-H…O intermolecular interactions. In addition, the structure is further stabilized by C-H…
π interactions.
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Rumiko TANAKA, Noriaki HIRAYAMA
2008 Volume 24 Pages
x163-x164
Published: 2008
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The crystal of the title compound, C
27H
42ClNO
2·H
2O, belongs to space group
P2
1/
a with cell dimensions of
a = 9.37(6),
b = 13.23(7),
c = 22.5(2)Å, and
β = 92.03(1)°. The final
R value is 0.076. The molecule takes a folded conformation with the distance between the centroids of the two phenyl rings being 8.93 Å. The dihedral angle between the two phenyl rings is 48.3°.
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Toshio AKIMOTO, Hisashi HARA, Taichi NAKANO, Noriaki HIRAYAMA
2008 Volume 24 Pages
x165-x166
Published: 2008
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The crystal of the title compound, C
14H
18N
2OSi, belongs to space group
P1 with cell dimensions of
a = 6.2639(3),
b = 10.818(1),
c = 12.085(1)Å,
α = 69.976(4),
β = 76.959(5), and
γ = 81.566(3)°. The final
R value is 0.0486. The isoxazoline ring takes an envelope conformation. The dihedral angle between the isoxazoline and phenyl rings is 103.9(1)°. The Si-C bond bridging the isoxazoline ring and trimethylsilyl group is significantly longer than the other three Si-C bonds.
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Natalie D. COOMBS, David J. WATKIN, Simon ALDRIDGE
2008 Volume 24 Pages
x167-x168
Published: 2008
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The crystal structure of [{(
η5-C
5Me
5)Fe(CO)
2In(C
6H
2Bu
t3-2,4,6)}
2(
μ-F)]
+(BF
4)
-·3CH
2Cl
2 was obtained, revealing the following properties: triclinic, space group
P1 with
a = 13.9482(2),
b = 14.7621(2),
c = 18.9520(2)Å,
α = 104.9195(6),
β = 93.6985(7),
γ = 97.1409(5)°,
Z = 2,
R = 0.059 and
wR2 = 0.133 for all 19611 unique reflections. The In-F-In bridging unit is characterized by In-F distances of 2.1674(18) and 2.1637(18)Å and by an In-F-In angle of 171.28(11)°; each indium centre is planar three-coordinate (Σangles at indium = 360°, within the standard 3
σ limit, in each case) with In-Fe distances of 2.4740(5) and 2.4760(5)Å and Fe-In-C
ipso angles of 153.75(8) and 154.79(9)°.
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Hamid GOLCHOUBIAN
2008 Volume 24 Pages
x169-x170
Published: 2008
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The title compound was synthesized and characterized by single-crystal X-ray diffraction. This complex was solved in the tetragonal system, space group
P4
12
12, with the following unit-cell parameters:
a = 13.6010(3)Å,
c = 13.1885(6)Å,
Z = 4,
V = 2439.70(13)Å
3. The final
R value was R1 = 0.0259 for 27567 measured reflections.
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Kanidtha HANSONGNERN, Uraiwan CHANGSALUK, Chaveng PAKAWATCHAI
2008 Volume 24 Pages
x171-x172
Published: 2008
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The title compound,
ccc-[Ru(5mazpy)
2Cl
2] (5mazpy = 5-methyl-2-(phenylazo)pyridine) crystallized in monoclinic, space group
P2
1/
c with unit-cell parameters:
a = 14.348(1)Å,
b = 12.705(1)Å,
c = 13.968(1)Å,
β = 111.18(1)°,
Z = 4. According to the pairs of Cl, N(pyridine), and N(azo) coordinating with the Ru(II) ion, this complex has a
cis-
cis-
cis (
ccc) configuration. The Ru-N(azo) distances are relatively shorter than the Ru-N(pyridine) distances, due to strong
π-backbonding of the azo moiety.
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Masoumeh TABATABAEE, Mitra GHASSEMZADEH, Nazanin SOLEIMANI
2008 Volume 24 Pages
x173-x174
Published: 2008
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The title compound, C
14H
14N
8S
2·2C
2H
6OS, crystallizes in the monoclinic space group
P2
1/
c with
a = 12.866(5),
b = 8.126(3),
c = 11.833(4)Å,
β = 101.239(9)°,
Z = 2,
Dx = 1.409 g cm
-3. In the solid states, N2-H2A…O1 and C4-H4A…S1 hydrogen bonds link 2 molecules of solvent (Me
2SO) to I.
View full abstract
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Hajime TAKAHASHI, Kanji KUBO, Haruko TAKECHI, Taisuke MATSUMOTO
2008 Volume 24 Pages
x175-x176
Published: 2008
Released on J-STAGE: September 05, 2008
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t-Butyl coumarin-3-carbamate (
1), which was prepared by the reaction of
t-butanol with coumarin-3-carbonyl azide, has herbicidal activities. The crystal structure of
1 was analyzed by single-crystal X-ray diffraction. The carbamate group makes an angle of 8.16(5)° with the coumarin ring. Intermolecular C-H…O interactions were observed in the crystal structure.
View full abstract
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Jun SHIBAYAMA, Hiroshi SAKIYAMA, Mikio YAMASAKI, Yuzo NISHIDA
2008 Volume 24 Pages
x177-x178
Published: 2008
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A pair of dinucleating ligands, 2,6-bis[bis(2-methoxyethyl)aminomethyl]-4-methylphenolate (bomp
-), incorporates two sodium ions to form a dinuclear sodium complex, [Na
2(bomp)
2] (C
42H
74N
4Na
2O
10). It crystallizes in the monoclinic space group
P2
1/
c with dimensions
a = 19.9993(4)Å,
b = 9.9700(2)Å,
c = 24.3473(7)Å,
β = 98.8492(7)°, and
V = 4796.89(19)Å
3 and with
Z = 4. The two sodium ions are bridged by two phenoxo oxygen atoms of the bomp ligands to form a bis(
μ-phenoxo)-dinuclear sodium(I) core structure. The Na…Na distance is 3.3261(6)Å, and each sodium ion has a distorted octahedral geometry.
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Ercan AYDEMIR, Ertan SAHIN, Tuncer HÖKELEK, M. Kemal GÜM&Uum ...
2008 Volume 24 Pages
x179-x180
Published: 2008
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The title compound, C
21H
20N
2O
2S, consists of planar quinoline, phenyl and thiazole rings. The quinoline ring is oriented with respect to the phenyl and thiazole rings at dihedral angles of 87.22(5)° and 81.05(4)°, respectively. It belongs to the space group
P1 with cell parameters
a = 7.9709(4)Å,
b = 9.7038(3)Å,
c = 12.8167(5)Å,
α = 78.484(2)°,
β = 76.584(3)° and
γ = 78.126(4)°. In the crystal structure, intermolecular C-H…N hydrogen bonds link the molecules into
R22(14) centrosymmetric dimers.
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Yuling ZHAO, Tianzhi YU, Hui ZHANG, Peng ZHANG, Duowang FAN, Wenkui DO ...
2008 Volume 24 Pages
x181-x182
Published: 2008
Released on J-STAGE: September 05, 2008
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The crystal structure of [Cu(PMBP)(PPh
3)
2]BF
4·CH
2Cl
2 (PMBP = 1-phenyl-3-methyl-4-benzoyl-pyrazolon-5-ato) was determined by X-ray crystallography. The complex crystallized in the triclinic system, space group
P1, with
a = 9.6864(6),
b = 13.6845(9),
c = 20.0329(13)Å,
α = 102.119(1),
β = 94.865(1),
γ = 105.120(1)°,
Z = 2,
V = 2478.8(3)Å
3, and
R = 0.0498. The Cu(II) ion is coordinated by two O donor atoms from PMBP and two P atoms from triphenylphosphine molecules to form a distorted tetrahedral geometry.
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Stancho STANCHEV, Anita PENKOVA, Pascal RETAILLEAU, Georgi AVDEEV, Ili ...
2008 Volume 24 Pages
x183-x184
Published: 2008
Released on J-STAGE: September 05, 2008
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The title compound, 3-acetyl-6-methoxy-2
H-1-benzopyran-2-one, C
12H
10O
4,
Mr = 218.20, crystallizes in the triclinic system, space group
P1, with cell constants
a = 5.424(1)Å,
b = 8.409(2)Å,
c = 11.579(2)Å,
α = 104.58(2)°,
β = 99.29(1)°,
γ = 90.97(2)°,
V = 503.49(17)Å
3 and
Z = 2.
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Mino R. CAIRA, Florea DUMITRASCU, Marcel M. POPA
2008 Volume 24 Pages
x185-x186
Published: 2008
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The X-ray structure of the compound dimethyl 2,7-dimethyl-pyrrolo[1,2-
b]pyridazine-5,6-dicarboxylate was determined to establish the molecular geometry and conformation of its novel 6,5-bicyclic system. The compound crystallizes in the space group
P2
1/
n with
a = 7.9910(2)Å,
b = 13.4005(3)Å,
c = 11.7950(3)Å,
β = 90.213(1)°, and
Z = 4. A puckering analysis indicated a screw-boat conformation for the six-membered ring with the torsion angle C2-C3-C4-C5 having a magnitude of 34.5(2)°.
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Mohamed S. ABDELFATTAH
2008 Volume 24 Pages
x187-x188
Published: 2008
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The crystal structure of the natural phenylpolyene all-
trans (
E)-8-methyl-13-phenyltrideca-4,6,8,10,12-pentaen-3-one (
1), asperenone, is reported here. The crystal is monoclinic, space group
C2/
c with
a = 21.2390(4)Å,
b = 7.9176(1)Å,
c = 19.7493(4)Å,
β = 100.2770(8)° and
Z = 8. The bond lengths and angles were determined. The plane of the polyene chain in
1 is slightly twisted with respect to the plane of the benzene ring.
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Andrew R. COWLEY, David R. JOHNSTON, Deborah L. KAYS (née COOMB ...
2008 Volume 24 Pages
x189-x190
Published: 2008
Released on J-STAGE: September 05, 2008
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The crystal structure properties of 1,3,6-tribromocarbazole (
1) are: orthorhombic, space group
Pna2
1 with
a = 17.3110(3)Å,
b = 4.5608(2)Å,
c = 14.9606(2)Å,
V = 1181.17(6)Å
3,
Z = 4,
R1 = 0.0267,
wR2 = 0.0594 for the 2677 reflections (
I > 3
σ(
I)). The solid state structure of
1 consists of layers of stacked molecules, with hydrogen bonding between the N-H bonds and the Br atoms of molecules on neighbouring stacks (H…Br distances = 2.840(1)Å).
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