Analytical Sciences: X-ray Structure Analysis Online
Online ISSN : 1348-2238
ISSN-L : 1348-2238
Volume 21
Displaying 51-100 of 110 articles from this issue
Part 6
Part 7
  • Rumiko TANAKA, Masayuki HARAMURA, Akito TANAKA, Noriaki HIRAYAMA
    2005 Volume 21 Pages x111-x112
    Published: 2005
    Released on J-STAGE: November 18, 2005
    JOURNAL FREE ACCESS
    The crystal of the title compound, C10H22N4·H2SO4, belongs to space group Pn with the cell dimensions a = 7.131(4), b = 12.969(6), c = 8.068(4)Å, and β = 110.32(3)°. The final R value is 0.063. The azocane ring adopts a boat-chair conformation. In a molecule, the N atom of the azocane ring and one of the N atoms of the guanidine group are bridged by a sulfate ion through a hydrogen bond. Hence, the ethylguanidine group takes a folded conformation. The ethylguanidine occupies an equatorial position of the ring.
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  • Masoud RAFIZADEH, Maryam RANJBAR, Vahid AMANI
    2005 Volume 21 Pages x113-x114
    Published: 2005
    Released on J-STAGE: November 18, 2005
    JOURNAL FREE ACCESS
    The crystal structure of [(H5O2)(pydaH)2][Gd(pydc)3]·2(H2O), (pyda·H = 2,6-diaminopyridinum), (pydc = 2,6-pyridinedicarboxylate), has been determined by the X-ray diffraction method. This ionic complex crystallizes in the monoclinic system, space group P2/n, with two molecules per unit cell. The unit cell dimensions are a = 9.641(4), b = 10.653(5), c = 17.696(9)Å, β = 95.649(13)°, V = 1808.5(14)Å3. The final R value is 0.0493 for 3177 measured reflections. The organic salt of a complex anion is formed between gadolinium(III) and three deprotonated [pydc·H2]ligand moieties. The gadolinium atom is at the center of a distorted tricaped trigonal prismatic donor-atom geometry. The geometry of the ligands and that of the primary coordination sphere is very similar to that of the analogous anionic tris(ligand)-rare earth complexes of the [pydc]2- dianion.
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  • Mitsunobu NAKAMURA, Chitoshi KITAMURA, Hitomi UEYAMA, Kazushige YAMANA ...
    2005 Volume 21 Pages x115-x116
    Published: 2005
    Released on J-STAGE: November 18, 2005
    JOURNAL FREE ACCESS
    A copper(II) complex with 8-hydroxyquinoline-2-carboxylic acid was synthesized and its crystal structure was determined by X-ray crystallography. 8-Hydroxyquinoline-2-carboxylic acid acted as a dibasic tridentate ligand to form a neutral mononuclear complex with a distorted square-pyramidal geometry with two water molecules.
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Part 8
Part 9
Part 10
  • Parvaneh DALIR KHEIROLLAHI, Hossein AGHABOZORG, Abolghasem MOGHIMI
    2005 Volume 21 Pages x153-x154
    Published: 2005
    Released on J-STAGE: February 28, 2006
    JOURNAL FREE ACCESS
    The reaction of TiCl2(Cp)2 in methanol (Cp = cyclopentadienyl) with LH2, (pydaH2)(pydc) (pyda = 2,6-pyridinediamine, pydcH2 = 2,6-pyridinedicarboxylic acid) in water, which is ion-pairing, led to the formation of a Ti(IV) complex, [Ti(Cp)2(pydc)]. The crystal and molecular structure of complex was determined by X-ray diffraction. This complex crystallized in the crystal system of tetragonal with the space group P43212 and four molecules per unit cell. The unit cell parameters at 153 K were a = 7.840(1)Å, c = 22.590(5)Å, and V = 1388.4(4)Å3. The R value was 0.0247 for 1454 measured reflections. Each titanium atom is coordinated by two cyclopentadienyl rings and three atoms (two oxygen atoms and one nitrogen atom) from 2,6-pyridinedicarboxylate group, respectively. Therefore, coordination number of Ti(IV) is five.
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  • Chitoshi KITAMURA, Kakuya SAITO, Nobuhiro KAWATSUKI, Akio YONEDA, Yosh ...
    2005 Volume 21 Pages x155-x156
    Published: 2005
    Released on J-STAGE: February 28, 2006
    JOURNAL FREE ACCESS
    The title compound, C40H34N4S4, crystallizes in the monoclinic system, space group C2/c. The cell parameters are a = 29.888(3)Å, b = 5.1829(5)Å, c = 22.511(2)Å, β = 93.686(5)°, V = 3479.9(5)Å3, and Z = 4. The final R value is 0.056. The molecule, half of which is crystallographically independent, is almost planar and has a transoid-configuration.
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  • 2005 Volume 21 Pages x157
    Published: 2005
    Released on J-STAGE: February 28, 2006
    JOURNAL FREE ACCESS
  • Rumiko TANAKA, Masayuki HARAMURA, Akito TANAKA, Noriaki HIRAYAMA
    2005 Volume 21 Pages x159-x160
    Published: 2005
    Released on J-STAGE: February 28, 2006
    JOURNAL FREE ACCESS
    The title compound, C17H27NO4, is an antihypertensive and antiangina agent. The crystal belongs to space group Cc with the cell dimensions a = 5.721(3), b = 27.25(1), c = 10.782(6)Å and β = 101.57(4)°. The final R value is 0.063. The cyclohexene ring adopts a half-chair conformation and two hydroxyl groups occupy axial and equatorial positions. The 3-amino-2-hydroxypropoxy group takes a fully extended conformation.
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  • Rumiko TANAKA, Masayuki HARAMURA, Akito TANAKA, Noriaki HIRAYAMA
    2005 Volume 21 Pages x161-x162
    Published: 2005
    Released on J-STAGE: February 28, 2006
    JOURNAL FREE ACCESS
    The title compound, C24H33FO6, is a glucocorticoid. The crystal belongs to space group C2 with the cell dimensions a = 30.575(2), b = 9.3616(9), c = 17.012(5)Å and β = 120.67(4)°. The final R value is 0.049. There are two crystallographically independent flurandrenolide molecules. The cyclohexenone rings in both molecules adopt different half-chair conformations. The dioxolane rings in both molecules take different puckered forms. The other corresponding rings in both molecules take essentially similar conformations.
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  • Rumiko TANAKA, Masayuki HARAMURA, Akito TANAKA, Noriaki HIRAYAMA
    2005 Volume 21 Pages x163-x164
    Published: 2005
    Released on J-STAGE: February 28, 2006
    JOURNAL FREE ACCESS
    The crystal of the title compound, C19H19NS·C4H4O4, belongs to space group Pbca with cell dimensions of a = 17.0132(4), b = 9.3344(2), c = 26.1413(4)Å. The final R value is 0.073. The thioxanthene ring takes a butterfly conformation with the dihedral angle between the two phenyl rings being 50.4(1)°. The piperidine ring takes a slightly deformed-chair conformation.
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  • Rumiko TANAKA, Masayuki HARAMURA, Akito TANAKA, Noriaki HIRAYAMA
    2005 Volume 21 Pages x165-x166
    Published: 2005
    Released on J-STAGE: February 28, 2006
    JOURNAL FREE ACCESS
    The crystal of the title compound, C9H12N4O3, belongs to space group P21 with cell dimensions a = 4.522(1), b = 12.615(2), c = 9.093(2)Å, and β = 104.79(2)°. The final R value is 0.055. The bond lengths in the purine ring are significantly different from those of the corresponding bonds in theophylline. The hydroxyethyl group adopts a gauche conformation.
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  • Debojit CHAKRABARTY, Hiromasa NAGASE, Masayuki KAMIJO, Tomohiro ENDO, ...
    2005 Volume 21 Pages x167-x168
    Published: 2005
    Released on J-STAGE: February 28, 2006
    JOURNAL FREE ACCESS
    The title compound, [Zn2(CH3COO)4(C6H6N2O)2]·2H2O, crystallized in the triclinic space group P1, with cell parameters a = 10.918(2)Å, b = 10.894(2)Å, c = 8.2112(9)Å, α = 88.22(1)°, β = 92.89(1)°, γ = 42.443(7)Å and Z = 1. The acetato ligands serve to bridge the two Zn(II) centres, while nicotinamide behaves as a monodentate ligand. Coordination of the metal centre to nicotinamide occurs through the lone pair residing on the pyridine ring nitrogen. Crystalline water participates in hydrogen bonding to the O atom of nicotinamide. The geometry around Zn(II) is a distorted square pyramidal form in nature.
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Part 11
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