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3-乙酰基-1-(3-氯苯基)硫脲

3-Acetyl-1-(3-chloro-phen-yl)thio-urea.

作者信息

Shahwar Durre, Tahir M Nawaz, Chohan Muhammad Mansha, Ahmad Naeem, Raza M Asam

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1189. doi: 10.1107/S1600536812012147. Epub 2012 Mar 24.

DOI:10.1107/S1600536812012147
PMID:22606129
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344126/
Abstract

In the title compound, C(9)H(9)ClN(2)OS, the 3-chloro-phenyl and acetyl-thio-urea fragments are oriented at a dihedral angle of 62.68 (5)°. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. Mol-ecules are linked into dimers via a cyclic R(2) (2)(8) motif of N-H⋯S hydrogen bonds. These dimers are further connected through C-H⋯S inter-actions, completing an R(2) (2)(12) motif, into chains along [010].

摘要

在标题化合物C₉H₉ClN₂OS中,3-氯苯基和乙酰硫脲片段以62.68 (5)°的二面角取向。分子内的N-H⋯O氢键形成一个S(6)环结构单元。分子通过N-H⋯S氢键的环状R₂²(8)结构单元连接成二聚体。这些二聚体通过C-H⋯S相互作用进一步连接,形成一个R₂²(12)结构单元,沿[010]方向形成链状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c4fe/3344126/fe6512b531c3/e-68-o1189-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c4fe/3344126/5ed1562bef9a/e-68-o1189-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c4fe/3344126/fe6512b531c3/e-68-o1189-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c4fe/3344126/5ed1562bef9a/e-68-o1189-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c4fe/3344126/fe6512b531c3/e-68-o1189-fig2.jpg

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