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1-(4-氯苯基)-3-(2,4-二氯苯甲酰基)硫脲

1-(4-Chloro-phen-yl)-3-(2,4-dichloro-benzo-yl)thio-urea.

作者信息

Khawar Rauf M, Bolte Michael, Badshah Amin

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 8;65(Pt 2):o260. doi: 10.1107/S160053680900004X.

DOI:10.1107/S160053680900004X
PMID:21581875
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968241/
Abstract

The title compound, C(14)H(9)Cl(3)N(2)OS, has bond lengths and angles which are quite typical for thio-urea compounds of this class. The mol-ecule exists in the solid state in its thione form with typical thio-urea C=S and C=O bond lengths, as well as shortened C-N bonds. An intra-molecular N-H⋯O hydrogen bond stabilizes the mol-ecular conformation. Inter-molecular N-H⋯S hydrogen bonds link the mol-ecules to form centrosymmetric dimers.

摘要

标题化合物C(14)H(9)Cl(3)N(2)OS的键长和键角对于此类硫脲化合物而言颇为典型。该分子在固态时以硫酮形式存在,具有典型的硫脲C=S和C=O键长,以及缩短的C-N键。分子内N-H⋯O氢键使分子构象得以稳定。分子间N-H⋯S氢键将分子连接形成中心对称的二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb8e/2968241/759256f40fb0/e-65-0o260-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb8e/2968241/4ec97603309e/e-65-0o260-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb8e/2968241/759256f40fb0/e-65-0o260-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb8e/2968241/4ec97603309e/e-65-0o260-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb8e/2968241/759256f40fb0/e-65-0o260-fig2.jpg

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The Cambridge Structural Database: a quarter of a million crystal structures and rising.剑桥结构数据库:拥有二十五万个晶体结构且数量不断增加。
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