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.
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。
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