Crystal structure of catena-poly[[[bis-(pyridine-4-carbo-thio-amide-κN (1))cadmium]-di-μ-thio-cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate].

中华整形外科杂志 Pub Date : 2016-02-20 eCollection Date: 2016-03-01 DOI:10.1107/S2056989016002632
Tristan Neumann, Inke Jess, Christian Näther
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引用次数: 0

Abstract

The asymmetric unit of the polymeric title compound, {[Cd(NCS)2(C6H6N2S)]·2CH3OH} n , consists of one cadmium(II) cation that is located on a centre of inversion as well as one thio-cyanate anion, one pyridine-4-carbo-thio-amide ligand and one methanol mol-ecule in general positions. The Cd(II) cations are octa-hedrally coordinated by the pyridine N atom of two pyridine-4-carbo-thio-amide ligands and by the S and N atoms of four thio-cyanate anions and are linked into chains along [010] by pairs of anionic ligands. These chains are further linked into layers extending along (201) by inter-molecular N-H⋯O and O-H⋯S hydrogen bonds. One of the amino H atoms of the pyridine-4-carbo-thio-amide ligand is hydrogen-bonded to the O atom of a methanol mol-ecule, and a symmetry-related methanol mol-ecule is the donor group to the S atom of another pyridine-4-carbo-thio-amide ligand whereby each of the pyridine-4-carbo-thio-amide ligands forms two pairs of centrosymmetric N-H⋯S and O-H⋯S hydrogen bonds. The methanol mol-ecules are equally disordered over two orientations.

Abstract Image

Abstract Image

Abstract Image

catena-poly[[[bis-(pyridine-4-carbo-thio-amide-κN (1))cadmium]-di-μ-thio-cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate] 的晶体结构。
聚合物标题化合物{[Cd(NCS)2(C6H6N2S)]-2CH3OH} n 的不对称单元由位于反转中心的一个镉(II)阳离子、一个硫代氰酸阴离子、一个吡啶-4-羧硫酰胺配体和一个甲醇分子组成。镉(II)阳离子由两个吡啶-4-羧基硫代酰胺配体的吡啶 N 原子和四个硫代氰酸根阴离子的 S 原子和 N 原子八面体配位,并通过成对的阴离子配体沿 [010] 方向连接成链。这些链通过分子间的 N-H⋯O 和 O-H⋯S 氢键进一步连接成沿 (201) 延伸的层。吡啶-4-羧基硫酰胺配体的一个氨基 H 原子与一个甲醇分子分子的 O 原子氢键相连,而与对称性相关的一个甲醇分子分子则是另一个吡啶-4-羧基硫酰胺配体 S 原子的供体基团,因此每个吡啶-4-羧基硫酰胺配体都形成了两对中心对称的 N-H⋯S 和 O-H⋯S 氢键。甲醇分子结构在两个方向上同样无序。
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