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5-（4-甲基-苯基-磺酰基）-1,3-二硫杂环戊烯并[4,5-c]吡咯-2-硫酮

5-(4-Methyl-phenyl-sulfon-yl)-1,3-dithiolo[4,5-c]pyrrole-2-thione.

作者信息

Zheng Ning-Juan, Yin Bing-Zhu

机构信息

Key Laboratory of Natural Resources of Changbai Mountain & Functional Molecules (Yanbian University), Ministry of Education, Yanji 133002, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1046. doi: 10.1107/S1600536812009622. Epub 2012 Mar 14.

DOI:10.1107/S1600536812009622
PMID:22589916
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344007/
Abstract

The asymmetric unit of the title compound, C(12)H(9)NO(2)S(4), contains one half-mol-ecule with the N, two S amd four C atoms lying on a mirror plane. The mol-ecule exhibits a V-shaped conformation, with a dihedral angle of 87.00 (7)° between the benzene and dithiol-opyrrole rings. The methyl group was treated as rotationally disordered between two orientations in a 1:1 ratio. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into chains in [010].

摘要

标题化合物C(12)H(9)NO(2)S(4)的不对称单元包含半个分子，其中N、两个S原子和四个C原子位于一个镜面上。该分子呈V形构象，苯环和二硫醇吡咯环之间的二面角为87.00 (7)°。甲基在两种取向之间以1:1的比例呈现旋转无序。在晶体中，弱的C-H⋯O氢键将分子连接成[010]方向的链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e003/3344007/b325068877d5/e-68-o1046-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e003/3344007/b325068877d5/e-68-o1046-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e003/3344007/b325068877d5/e-68-o1046-fig1.jpg

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本文引用的文献

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