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4-溴-3-{N-[2-(3,4-二甲氧基苯基)乙基]-N-甲基氨磺酰基}-5-甲基苯甲酸一水合物

4-Bromo-3-{N-[2-(3,4-dimethoxy-phen-yl)eth-yl]-N-methyl-sulfamo-yl}-5-methyl-benzoic acid monohydrate.

作者信息

Babu C Suneel Manohar, Kavitha Helen P, Vennila Jasmine P, Chakkaravarthi G, Manivannan V

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 13;65(Pt 7):o1568. doi: 10.1107/S1600536809022041.

DOI:10.1107/S1600536809022041
PMID:21582848
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969419/
Abstract

In the title compound, C(19)H(22)BrNO(6)S·H(2)O, the dihedral angle between the planes of the two benzene rings is 3.1 (1)°. These rings are stacked over one another with their centroids separated by 3.769 (2) Å, indicating weak π-π inter-actions. In the crystal structure, mol-ecules are linked by O-H⋯O and O-H⋯(O,O) hydrogen bonds involving the water mol-ecule, forming a two-dimensional network parallel to (001).

摘要

在标题化合物C₁₉H₂₂BrNO₆S·H₂O中，两个苯环平面之间的二面角为3.1（1）°。这些环彼此堆叠，其质心间距为3.769（2）Å，表明存在弱π-π相互作用。在晶体结构中，分子通过涉及水分子的O-H⋯O和O-H⋯（O，O）氢键相连，形成平行于（001）的二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ca1/2969419/3c904de0162a/e-65-o1568-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ca1/2969419/3c904de0162a/e-65-o1568-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ca1/2969419/3c904de0162a/e-65-o1568-fig1.jpg

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本文引用的文献

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