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4-乙基-1-[4-(甲基硫烷基)亚苄基]硫代氨基脲

4-Ethyl-1-[4-(methyl-sulfan-yl)benzyl-idene]thio-semicarbazide.

作者信息

Li Yu-Feng, Jian Fang-Fang

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 18;66(Pt 7):o1715. doi: 10.1107/S1600536810022920.

DOI:10.1107/S1600536810022920
PMID:21587932
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006876/
Abstract

There are four independent mol-ecules in the asymmetric unit of the title compound, C(11)H(15)N(3)S(2), with different conformations: the dihedral angles between the benzene rings and thio-urea units are 16.85 (9), 0.56 (10), 8.05 (12) and 4.56 (8)°. Each mol-ecule contains an intra-molecular N-H⋯N hydrogen bond, generating an S(5) ring. The crystal structure is stabilized by inter-molecular N-H⋯S hydrogen bonds.

摘要

标题化合物C(11)H(15)N(3)S(2)的不对称单元中有四个独立分子，具有不同的构象：苯环与硫脲单元之间的二面角分别为16.85 (9)、0.56 (10)、8.05 (12)和4.56 (8)°。每个分子包含一个分子内N-H⋯N氢键，形成一个S(5)环。晶体结构通过分子间N-H⋯S氢键得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e44c/3006876/d16db63339ec/e-66-o1715-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e44c/3006876/d16db63339ec/e-66-o1715-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e44c/3006876/d16db63339ec/e-66-o1715-fig1.jpg

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本文引用的文献

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4-Ethyl-1-(4-methyl-benzyl-idene)thio-semicarbazide.
Acta Crystallogr Sect E Struct Rep Online. 2010 May 22;66(Pt 6):o1399. doi: 10.1107/S1600536810017988.
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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.