二水双（硫氰酸根合-κN）双[6-（4H-1,2,4-三唑-4-基-κN(1)）吡啶-2-胺]镉
Diaquabis-(thio-cyanato-κN)bis[6-(4H-1,2,4-triazol-4-yl-κN(1))pyridin-2-amine]-cadmium.
作者信息
Liu Yuan-Yuan, Yang Pan, Ding Bin
机构信息
Tianjin Key Laboratory of Structure and Performance for Functional Molecule, Tianjin Normal University, Tianjin 300071, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1095-6. doi: 10.1107/S1600536812032473. Epub 2012 Jul 21.
In the title compound, [Cd(NCS)(2)(C(7)H(7)N(5))(2)(H(2)O)(2)], the Cd(II) cation lies on an inversion center and is coordinated by the N atoms of two thiocyanate anions, by N atoms of two 6-(4H-1,2,4-triazol-4-yl)pyridin-2-amine ligands and by the O atoms of two water molecules in a distorted N(4)O(2) octa-hedral geometry. The dihedral angle between the triazole and pyridine rings is 23.15 (12)°. In the crystal, mol-ecules are linked by N-H⋯N and O-H⋯S hydrogen bonds. Offset π-π stacking between parallel pyridine rings of adjacent mol-ecules is also observed, the centroid-centroid distance being 3.6319 (14) Å.
在标题化合物[Cd(NCS)₂(C₇H₇N₅)₂(H₂O)₂]中，Cd(II)阳离子位于一个对称中心上，由两个硫氰酸根阴离子的N原子、两个6-(4H-1,2,4-三唑-4-基)吡啶-2-胺配体的N原子以及两个水分子的O原子配位，形成扭曲的N₄O₂八面体几何构型。三唑环和吡啶环之间的二面角为23.15 (12)°。在晶体中，分子通过N-H⋯N和O-H⋯S氢键相连。还观察到相邻分子的平行吡啶环之间存在偏移π-π堆积，质心间距为3.6319 (14) Å。
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