Analytical Sciences: X-ray Structure Analysis Online
Online ISSN : 1348-2238
ISSN-L : 1348-2238
Volume 21
Displaying 1-50 of 110 articles from this issue
Part 1
  • Hemmige YATHIRAJAN, Mon Nanjappa Gounder PONNUSWAMY, Chapuradoddy RAJU ...
    2005 Volume 21 Pages x1-x2
    Published: 2005
    Released on J-STAGE: August 08, 2005
    JOURNAL FREE ACCESS
    The crystal structure of 4-amino-3-(4′-chlorophenyl)-4H-[1,2,4]-triazolo-5-thiol (ACPTT) was determined by crystallographic methods. There are two crystallographically independent molecules in the asymmetric unit and are related by pseudo inversion symmetry with each other. A number of C-H…N and N-H…N types of intermolecular interactions stabilize the molecules in the unit cell in addition to van der Waals forces.
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  • Rumiko TANAKA, Masayuki HARAMURA, Akito TANAKA, Noriaki HIRAYAMA
    2005 Volume 21 Pages x3-x4
    Published: 2005
    Released on J-STAGE: August 08, 2005
    JOURNAL FREE ACCESS
    The title compound is an antianginal agent. The crystal, C14H22N2O3·2HCl·1/2H2O, belongs to space group P21/a with cell dimensions of a = 13.139(6), b = 7.452(5), c = 17.991(8)Å, β = 93.20(4)°. The final R value is 0.081. The piperazine ring takes a chair conformation. The dihedral angle between the least-squares planes of the piperazine and phenyl rings is 60.3(6)°. The methylene carbon atom bonded to the phenyl ring is significantly deviated from the plane of the phenyl ring.
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  • M. FOTSING KAMTE, C. WAGNER, W. SCHÄFER
    2005 Volume 21 Pages x5-x6
    Published: 2005
    Released on J-STAGE: August 08, 2005
    JOURNAL FREE ACCESS
    The title copper(I) complex crystallizes in the triclinic space group P1 with cell parameters a = 9.1932(18), b = 9.1550(18), c = 16.757(4)Å, α = 84.72(2), β = 86.45(2), γ = 65.20(2)°, V = 1274.5(4)Å3, Z = 2, Dcal = 1.386 g/cm3 and T = 220(2)K. The structure was refined to the final R1 = 0.0491 using all 4570 observed reflections. The complex is monomeric with a terminal cyano group C-coordinated to the copper atom. The solid-state structure consists of a distorted tetrahedron geometry around the copper with an N2P donor set.
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  • Isao FUJII, Yoshihiro MANO, Noriaki HIRAYAMA
    2005 Volume 21 Pages x7-x8
    Published: 2005
    Released on J-STAGE: August 08, 2005
    JOURNAL FREE ACCESS
    The crystal structure of 4-ethoxycoumarin, which has antimicrobial activity, has been determined. The molecule has a planar conformation with a deviation of 0.014(2)Å from the best plane, defined by the chromone moiety. The coplanar ethoxy group is connected with a trans conformation. The angles around the C3 atom give the ethoxy group a tilt to the C4 direction. There is a type of intermolecular-hydrogen bond between the O3 atom of the ethoxy group and the hydrogen of the phenyl ring.
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  • Makoto AMAI, Masayuki KAMIJO, Hiromasa NAGASE, Tomohiro ENDO, Haruhisa ...
    2005 Volume 21 Pages x9-x10
    Published: 2005
    Released on J-STAGE: August 08, 2005
    JOURNAL FREE ACCESS
    An equimolar mixture of margaric acid (n-heptadecanoic acid) and nicotinamide (3-pyridinecarboxamide) in acetone yields crystals of a 1:1 complex, Cl7H34O2·C6H6N2O. Margaric acid forms a lamellar structure and its alkyl chain has an all-trans conformation. The carboxamide group of nicotinamide forms hydrogen bond sequences along the b axis.
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  • Mamoru HASHIMOTO, Kazunori SAKATA, Yasuhiro TANOUE
    2005 Volume 21 Pages x11-x12
    Published: 2005
    Released on J-STAGE: August 08, 2005
    JOURNAL FREE ACCESS
    The nickel(II) and zinc(II) complexes of 6-ethyldibenzo[b,i]-1,4,8,11-tetraazacyclotetradeca-4,6-diene were synthesized and their crystal structures were determined by single-crystal X-ray diffractometry. The crystal system of NiLCl is monoclinic with the space group of P21/c and Z = 4. The unit cell dimensions are a = 8.452(2)Å, b = 12.781(3)Å and c = 17.893(3)Å with β = 98.38(2)°, V = 1912.2(7)Å3. The crystal system of ZnLCl is monoclinic with the space group of C2/c and Z = 8. The unit cell dimensions are a = 24.860(3)Å, b = 11.209(2)Å and c = 18.252(2)Å with β = 116.959(7)°, V = 4533.4(9)Å3. The nickel(II) ion of NiLCl is coordinated through four nitrogen atoms to form a square-planar geometry and the zinc(II) ion has a square-pyramid geometry with four nitrogen atoms in a plane and one chloride atom at an axial position.
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  • Kai JIANG, Yufang WANG, Lufang MA, Liya WANG
    2005 Volume 21 Pages x13-x14
    Published: 2005
    Released on J-STAGE: August 08, 2005
    JOURNAL FREE ACCESS
    The crystal structure of Cu(NIT2Py)2(N3)2 (NIT2Py = 2-(2′-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide) was determined by the X-ray diffraction method. This compound crystallizes in monoclinic, space group P21/c with a = 9.2293(18), b = 10.579(2), c = 14.965(3)Å, β = 100.31(3)°, V = 1437.5(5)Å3, Z = 2. The final R value is 0.0587 for 2204 reflections (I > 2σ(I)). The complex is centrosymmetric, and the copper(II) ion is six-coordinated in a distorted octahedral environment: two nitrogen atoms from the NIT2Py, two nitrogen atoms from the azide groups in the basal plane and two oxygen atoms from the NIT2Py in the axial position.
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