Crystal structure of bis-[1,3,4,5-tetra-methyl-1H-imidazole-2(3H)-thione-κS]chlorido-copper(I).

IF 0.9

Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-15 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814024404

Ulrich Flörke, Aziza Ahmida, Hans Egold, Gerald Henkel

引用次数: 1

Abstract

The mol-ecular structure of the title compound, [CuCl(C7H12N2S)2], shows a slightly distorted trigonal-planar coordination geometry of the Cu atom. The Cu-Cl bond measures 2.2287 (9) Å, and the two Cu-S bonds are significantly different from each other, with values of 2.2270 (10) and 2.2662 (10) Å. Also, the S-Cu-Cl angles differ, with values of 113.80 (4) and 124.42 (4)°, while the S-Cu-S angle is 121.51 (4)°. The two imidazole rings are almost parallel, making a dihedral angle of 2.1 (2)°. In the crystal, the shortest C-H⋯Cl interactions stabilize a three-dimensional network with molecules linked into centrosymmetric dimers that are stacked along the b-axis direction.

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双-[1,3,4,5-四甲基- 1h -咪唑-2(3H)-硫酮-κ s]氯铜的晶体结构

标题化合物[CuCl(C7H12N2S)2]的分子结构显示Cu原子的三角-平面配位几何形状略有扭曲。Cu-Cl键的测度为2.2287 (9)Å，两个Cu-S键的测度差异显著，分别为2.2270(10)和2.2662 (10)Å。S-Cu-Cl角也不同，分别为113.80(4)°和124.42(4)°，而S-Cu-S角为121.51(4)°。两个咪唑环几乎平行，形成2.1(2)°的二面角。在晶体中，最短的C-H⋯Cl相互作用稳定了一个三维网络，分子连接成沿b轴方向堆叠的中心对称二聚体。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta crystallographica. Section E, Structure reports online 化学-晶体学

自引率

33.30%

发文量

审稿时长

1.3 months

期刊介绍： Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.