1,3-二环己基-4,5-二甲基- 1h -咪唑-3-ium-2-碳硫盐氯化物单溶剂的晶体结构。

IF 0.9

Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-05 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814023800

Eyad Mallah, Kamal Sweidan, Wael Abu Dayyih, Manfred Steimann, Mahmoud Sunjuk

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引用次数: 0

摘要

标题化合物C18H28N2S2·CHCl3结晶为两性离子。C-S债券几乎相等，长度分别为1.666(3)和1.657 (3)Å。S-C-S键角扩展到129.54(16)°，N-C-N键角减小到四面体值108.8(2)°。在晶体中，相邻的分子通过C-H⋯S氢键连接，沿着[100]形成链。氯型溶剂分子在两个位置上无序[占比= 0.51(2):0.49(2)]，通过分叉的C-H⋯(S,S)氢键与链相连。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Crystal structure of 1,3-di-cyclo-hexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodi-thio-ate chloro-form monosolvate.

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Crystal structure of 1,3-di-cyclo-hexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodi-thio-ate chloro-form monosolvate.

The title compound, C18H28N2S2·CHCl3, crystallizes as a zwitterion. The C-S bonds are almost equivalent, with lengths of 1.666 (3) and 1.657 (3) Å. The S-C-S bond angle is expanded to 129.54 (16)° and the N-C-N angle is reduced to the tetra-hedal value of 108.8 (2)°. In the crystal, adjacent mol-ecules are linked via C-H⋯S hydrogen bonds, forming chains along [100]. The chloro-form solvent mol-ecule, which is disordered over two positions [occupancy ratio = 0.51 (2):0.49 (2)], is linked to the chain by bifurcated C-H⋯(S,S) hydrogen bonds.

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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.