X-ray Structure Analysis Online
Online ISSN : 1883-3578
ISSN-L : 1883-3578
最新号
選択された号の論文の23件中1~23を表示しています
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Part 10
  • Vahobjon SABIROV, Mannon JUMAEV, Djumanali IRKABAEV, Jamshid ASHUROV
    2021 年 37 巻 p. 59-60
    発行日: 2021/10/10
    公開日: 2021/10/10
    ジャーナル フリー
    電子付録

    The crystal structures of two chalcanthites, (Cu0.90Fe0.10)SO4·5H2O (I) and (Cu0.80Fe0.20)SO4·5H2O (II), were determined by single-crystal X-ray diffraction at room temperature. The crystallographic data are (I), triclinic P1, Z = 2, a = 5.9642(3), b = 6.1186(3), c = 10.7128(5)Å, α = 77.340(4), β = 82.384(4), γ = 72.633(4)°, V = 363.13(3)Å3, R = 0.036; (II), triclinic P1, Z = 2, a = 5.9611(6), b = 6.1270(6), c = 10.7101(9)Å, α = 77.200(8), β = 82.314(8), γ = 72.484(9)°, V = 362.82(6)Å3, R = 0.0701. Both of the crystal structures are isostructural with chalcanthite, CuSO4·5H2O, and composed of the square-planar [Cu(H2O)4]2+ ion at the M1 site and the [(Cu,Fe)(H2O)4]2+ ion at the M2 site, and the SO4 tetrahedra which acts as a μ2-bridge between these sites and one water molecule crystallization. However, unlike chalcanthite, in both crystals aqua ligands at the M2 site are disordered over two positions, and in the second crystal the O atoms of sulfate group are disordered over two positions. The O atoms of the disordered aqua ligands surrounding the Cu2 atom are with occupation factors 0.42(4)/0.58(4) and 0.47(2)/0.53(2) for structure (I), and, 0.50(7)/0.50(7) and 0.7(1)/0.3(1) for structure (II).

  • Shusaku WADA, Daisuke YOSHIOKA, Motohiro TSUBOI, Masahiro MIKURIYA
    2021 年 37 巻 p. 61-63
    発行日: 2021/10/10
    公開日: 2021/10/10
    ジャーナル フリー
    電子付録

    Dinuclear zinc(II) complex with 1,4,8,11-tetrakis(salicylideneaminoethyl)-1,4,8,11-tetraazacyclotetradecane (H4tsaec), [Zn2(tsaec)]·2CHCl3, was synthesized. The crystal structure was determined by the single-crystal X-ray diffraction method at 293 K. The complex crystallizes in the monoclinic space group P21/c with a = 9.496(3), b = 11.568(3), c = 23.338(7)Å, β = 96.270(4)°, V = 2548.3(12)Å3, Dcalcd = 1.505 g/cm3, Z = 2. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0407 and 0.1034, respectively, for all 6119 independent reflections. The two zinc(II) atoms are bound to the tsaec ligand outside the central teraazacyclotetradecane ring with an intramolecular Zn···Zn distance of 9.426(2)Å, where each zinc(II) atom is coordinated by two Schiff-base pendant arms with two phenolato-oxygen and two imino-nitrogen atoms to form a distorted tetrahedral geometry.

  • Jean GUILLON, Noël PINAUD, Solène SAVRIMOUTOU, Mathieu MARCHIVIE, Stép ...
    2021 年 37 巻 p. 65-67
    発行日: 2021/10/10
    公開日: 2021/10/10
    ジャーナル フリー
    電子付録

    The X-ray crystal structure of the antimalarial 1-(3-ferrocenyl-2-methylpyrrolo[1,2-a]quinoxalin-4-yl)piperazin-4-ium chloride has been established. It crystallizes in the tetragonal space group P-421c with cell parameters a = 24.6705(19)Å, b = 24.6705(19)Å, c = 7.4533(6)Å, α = 90°, β = 90°, γ = 90° V = 4536.3(8)Å3 and Z = 8. The crystal structure was refined to final values of R1 = 0.0354 and wR2 = 0.0837. An X-ray crystal structure analysis revealed that each molecule features intermolecular N–H···Cl hydrogen bonds interactions between the ammonium group and the chloride anion to form tetramers.

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