2-(4-溴苯基)-1-[3-(1H-咪唑-1-基)丙基]-1H-苯并咪唑-5-羧酸乙酯一水合物
Ethyl 2-(4-bromophenyl)-1-[3-(1H-imidazol-1-yl)prop-yl]-1H-benzimidazole-5-carboxyl-ate monohydrate.
作者信息
Yoon Yeong Keng, Ali Mohamed Ashraf, Choon Tan Soo, Hemamalini Madhukar, Fun Hoong-Kun
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3060. doi: 10.1107/S160053681104342X. Epub 2011 Oct 29.
Abstract
In the title compound, C(22)H(21)BrN(4)O(2)·H(2)O, the two pyrazole rings are essentially planar [maximum deviations 0.002 (1) and 0.002 (1) Å], and form a dihedral angle of 73.46 (9)°. The dihedral angle between the benzene rings is 29.33 (7)°. In the crystal, mol-ecules are connected via C-H⋯O and O-H⋯N hydrogen bonds, forming layers in the ab plane.
摘要
在标题化合物C₂₂H₂₁BrN₄O₂·H₂O中，两个吡唑环基本呈平面状[最大偏差为0.002 (1) 和0.002 (1) Å]，且形成的二面角为73.46 (9)°。苯环之间的二面角为29.33 (7)°。在晶体中，分子通过C—H⋯O和O—H⋯N氢键相连，在ab平面上形成层状结构。
Zotero 插件