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2,5-二氯-N-环己基苯磺酰胺

2,5-Dichloro-N-cyclo-hexyl-benzene-sulfonamide.

作者信息

Khan Islam Ullah, Sharif Shahzad, Batool Shumaila, Mumtaz Ahmad Mahmood, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 25;66(Pt 10):o2641. doi: 10.1107/S160053681003789X.

DOI:10.1107/S160053681003789X
PMID:21587612
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983123/
Abstract

The structure of the title sulfonamide, C(12)H(15)Cl(2)NO(2)S, features a distorted tetra-hedral geometry for the S atom [maximum deviation: O-S-O = 120.23 (14)°]. One of the sulfonamide O atoms is coplanar with the benzene ring [C-C-S-O torsion angle = -174.5 (2)°], whereas the other lies well above the plane [C-C-S-O = 57.0 (3)°]. A chair conformation is found for the cyclo-hexyl ring. In the crystal, supra-molecular chains aligned along the c axis are formed via N-H⋯O hydrogen bonds; these are consolidated in the three-dimensional packing by C-H⋯O contacts involving the second sulfonamide O atom.

摘要

标题磺酰胺C(12)H(15)Cl(2)NO(2)S的结构中,S原子具有扭曲的四面体几何构型[最大偏差:O-S-O = 120.23 (14)°]。磺酰胺的一个O原子与苯环共平面[C-C-S-O扭转角 = -174.5 (2)°],而另一个则位于该平面上方较远位置[C-C-S-O = 57.0 (3)°]。环己基环呈椅式构象。在晶体中,沿着c轴排列的超分子链通过N-H⋯O氢键形成;这些通过涉及第二个磺酰胺O原子的C-H⋯O接触在三维堆积中得以巩固。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6cf/2983123/cd91488495d1/e-66-o2641-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6cf/2983123/08c371dbbe92/e-66-o2641-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6cf/2983123/0c930eb6168f/e-66-o2641-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6cf/2983123/cd91488495d1/e-66-o2641-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6cf/2983123/08c371dbbe92/e-66-o2641-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6cf/2983123/0c930eb6168f/e-66-o2641-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6cf/2983123/cd91488495d1/e-66-o2641-fig3.jpg

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