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N-(3,4-二氯苯基)-2,4-二甲基苯磺酰胺

N-(3,4-Dichloro-phen-yl)-2,4-dimethyl-benzene-sulfonamide.

作者信息

Gowda B Thimme, Foro Sabine, Nirmala P G, Fuess Hartmut

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 25;65(Pt 8):o1976. doi: 10.1107/S1600536809028840.

DOI:10.1107/S1600536809028840
PMID:21583652
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977482/
Abstract

In the crystal structure of the title compound, C(14)H(13)Cl(2)NO(2)S, the configurations of the N-C bond with respect to the S=O bonds are trans and gauche. The mol-ecule is bent at the S atom with a C-SO(2)-NH-C torsion angle of -69.7 (2)°. The conformation of the N-H bond is syn to the 3-chloro group in the substituted aniline ring. The two benzene rings are tilted with respect to each other by 82.4 (1)°. The presence of N-H⋯O(S) hydrogen bonding packs the mol-ecules into supra-molecular chains along the b axis.

摘要

在标题化合物C₁₄H₁₃Cl₂NO₂S的晶体结构中,N-C键相对于S=O键的构型为反式和顺式。分子在S原子处弯曲,C-SO₂-NH-C扭转角为-69.7(2)°。N-H键的构象与取代苯胺环中的3-氯基团为顺式。两个苯环彼此倾斜82.4(1)°。N-H⋯O(S)氢键的存在使分子沿b轴堆积成超分子链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4c40/2977482/0fd4b5c2afef/e-65-o1976-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4c40/2977482/0fd4b5c2afef/e-65-o1976-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4c40/2977482/0fd4b5c2afef/e-65-o1976-fig1.jpg

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