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1-(2,6-二氯-苯甲酰基)-3-(2,3,5,6-四氯-苯基)硫代脲三氯甲烷半溶剂化物

1-(2,6-Dichloro-benzo-yl)-3-(2,3,5,6-tetra-chloro-phen-yl)thio-urea trichloro-methane hemisolvate.

作者信息

Khawar Rauf M, Bolte Michael, Anwar Saeed

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 8;65(Pt 2):o249. doi: 10.1107/S1600536809000051.

Abstract

The title compound, C(14)H(6)Cl(6)N(2)OS·0.5CHCl(3), crystallizes with four 1-(2,6-dichloro-benzo-yl)-3-(2,3,5,6-tetra-chloro-phen-yl)thio-urea mol-ecules and two trichloro-methane mol-ecules in the asymmetric unit. The thiourea molecules exist in the solid state in their thione forms with typical thio-urea C-S and C-O bonds lengths, as well as shortened C-N bonds. The -NH-C(=S)-NH-C(=O)- plane is almost perpen-dicular to the benzene ring in each thiourea molecule. Intra-molecular N-H⋯O hydrogen bonds stabilize the mol-ecular conformation and inter-molecular N-H⋯S hydrogen bonds stabilize the packing arrangement.

摘要

标题化合物C(14)H(6)Cl(6)N(2)OS·0.5CHCl(3)在不对称单元中含有四个1-(2,6-二氯苯甲酰基)-3-(2,3,5,6-四氯苯基)硫脲分子和两个三氯甲烷分子。硫脲分子以硫酮形式存在于固态中,具有典型的硫脲C-S和C-O键长以及缩短的C-N键。在每个硫脲分子中,-NH-C(=S)-NH-C(=O)-平面几乎垂直于苯环。分子内N-H⋯O氢键稳定了分子构象,分子间N-H⋯S氢键稳定了堆积排列。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7f14/2968195/878fe8a1f536/e-65-0o249-fig1.jpg

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