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4-氯-N-(2-氯苯基)-2-甲基苯磺酰胺

4-Chloro-N-(2-chloro-phen-yl)-2-methyl-benzene-sulfonamide.

作者信息

Gowda B Thimme, Foro Sabine, Nirmala P G, Babitha K S, Fuess Hartmut

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 11;65(Pt 4):o717. doi: 10.1107/S1600536809007880.

DOI:10.1107/S1600536809007880
PMID:21582453
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968972/
Abstract

In the crystal structure of the title compound, C(13)H(11)Cl(2)NO(2)S, the conformations of the N-C bond in the C-SO(2)-NH-C segment are trans and gauche with respect to the S=O bonds. The C-S(O(2))-N(H)-C torsion angle is 74.8 (4)°, indicating that the mol-ecule is bent at the S atom. In the crystal structure, inversion dimers linked by pairs of N-H⋯O hydrogen bonds occur. An intramolecular N-H⋯Cl inter-action is also present.

摘要

在标题化合物C(13)H(11)Cl(2)NO(2)S的晶体结构中,C-SO(2)-NH-C片段中N-C键的构象相对于S=O键为反式和gauche式。C-S(O(2))-N(H)-C扭转角为74.8 (4)°,表明分子在S原子处弯曲。在晶体结构中,通过N-H⋯O氢键对连接的反演二聚体出现。还存在分子内N-H⋯Cl相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3490/2968972/f4ed772b9acf/e-65-0o717-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3490/2968972/746a96fc2291/e-65-0o717-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3490/2968972/f4ed772b9acf/e-65-0o717-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3490/2968972/746a96fc2291/e-65-0o717-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3490/2968972/f4ed772b9acf/e-65-0o717-fig2.jpg

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