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1-(2,6-二氯苯甲酰基)-3-(3,5-二氯苯基)硫脲

1-(2,6-Dichloro-benzo-yl)-3-(3,5-dichloro-phen-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. 2008 Dec 20;65(Pt 1):o177. doi: 10.1107/S1600536808042736.

DOI:10.1107/S1600536808042736
PMID:21581633
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968087/
Abstract

The crystal structure of the title compound, C(14)H(8)Cl(4)N(2)OS, is composed of discrete mol-ecules with bond lengths and angles quite typical for thio-urea compounds of this class. The plane containing the central SONNCC atom set subtends a dihedral angle of 31.47 (3)° with the benzene ring. An intra-molecular N-H⋯O hydrogen bond stabilizes the mol-ecular conformation and the mol-ecules form centrosymmetric dimers via inter-molecular N-H⋯S hydrogen bonds.

摘要

标题化合物C(14)H(8)Cl(4)N(2)OS的晶体结构由离散分子组成,其键长和键角对于此类硫脲化合物而言颇为典型。包含中心SONNCC原子集合的平面与苯环形成的二面角为31.47 (3)°。分子内的N-H⋯O氢键稳定了分子构象,且分子通过分子间的N-H⋯S氢键形成中心对称二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9c1/2968087/2f6edc7e80f9/e-65-0o177-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9c1/2968087/59701797c7ad/e-65-0o177-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9c1/2968087/2f6edc7e80f9/e-65-0o177-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9c1/2968087/59701797c7ad/e-65-0o177-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9c1/2968087/2f6edc7e80f9/e-65-0o177-fig2.jpg

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