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（E）-2-氰基-3-[4-(4,5-二苯基-1H-咪唑-2-基)苯基]丙烯酸乙酯二水合物

(E)-Ethyl 2-cyano-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phen-yl]acrylate dihydrate.

作者信息

Liao Wei-Xing, Peng Yi-Wen, Yu Li, Ning Xiao-Qing, Zeng He-Ping

机构信息

School of Chemistry and Environment, South China Normal University, Guangzhou 510006, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 26;67(Pt 3):o707. doi: 10.1107/S1600536811006039.

DOI:10.1107/S1600536811006039
PMID:21522450
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3052040/
Abstract

In the title compound, C(27)H(21)N(3)O(2)·2H(2)O, the three benzene rings attached to the heterocyclic imidazole ring are not coplanar with the latter, making dihedral angles of 14.8 (2), 31.4 (2), and 37.5 (2)°, respectively, for the benzene ring planes in the 2-, 4- and 5-positions. In the crystal, there are two water mol-ecules which serve as connectors between the acrylate mol-ecules and stabilize the structure via N-H⋯O, O-H⋯N, C-H⋯O and O-H⋯O hydrogen bonding.

摘要

在标题化合物C₂₇H₂₁N₃O₂·2H₂O中，连接在杂环咪唑环上的三个苯环与咪唑环不共面，2-、4-和5-位苯环平面与咪唑环平面的二面角分别为14.8 (2)°、31.4 (2)°和37.5 (2)°。在晶体中，有两个水分子作为丙烯酸酯分子之间的连接体，并通过N-H⋯O、O-H⋯N、C-H⋯O和O-H⋯O氢键作用使结构稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/daf5/3052040/6a0546c58152/e-67-0o707-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/daf5/3052040/4719bda907be/e-67-0o707-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/daf5/3052040/6a0546c58152/e-67-0o707-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/daf5/3052040/4719bda907be/e-67-0o707-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/daf5/3052040/6a0546c58152/e-67-0o707-fig2.jpg

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