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2-(4-氯苯基)-4,5-二苯基-1-(2-丙烯-1-基)-1H-咪唑

2-(4-Chloro-phen-yl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole.

作者信息

Mohamed Shaaban K, Akkurt Mehmet, Marzouk Adel A E, Santoyo-Gonzalez Francisco, Elremaily Mahmoud A A

机构信息

Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England ; Chemistry Department, Faculty of Science, Mini University, 61519 El-Minia, Egypt.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 May 11;69(Pt 6):o875-6. doi: 10.1107/S1600536813012592. Print 2013 Jun 1.

DOI:10.1107/S1600536813012592
PMID:23795053
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3685034/
Abstract

The title compound, C24H19ClN2, crystallizes with two independent mol-ecules in the asymmetric unit. The prop-2-enyl substituents on the imidazole rings adopt similar conformations in the two mol-ecules. The 4-and 5-substituted phenyl rings and the benzene ring make dihedral angles of 67.06 (8), 5.61 (8) and 41.09 (8)°, respectively, with the imadazole ring in one mol-ecule and 71.53 (8), 28.85 (8) and 41.87 (8)°, respectively, in the other. The crystal structure features C-H⋯π inter-actions and weak π-π stacking inter-actions [centroid-centroid distances = 3.6937 (10) and 4.0232 (10) Å] between the chloro-phenyl rings, which form a three-dimensional supramolecular structure.

摘要

标题化合物C₂₄H₁₉ClN₂在不对称单元中以两个独立分子结晶。咪唑环上的2-丙烯基取代基在两个分子中具有相似的构象。在一个分子中,4-和5-取代的苯环以及苯环与咪唑环的二面角分别为67.06(8)、5.61(8)和41.09(8)°,在另一个分子中分别为71.53(8)、28.85(8)和41.87(8)°。晶体结构的特征是氯苯环之间存在C-H⋯π相互作用和弱的π-π堆积相互作用[质心-质心距离 = 3.6937(10)和4.0232(10)Å],形成三维超分子结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3058/3685034/257fc0899406/e-69-0o875-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3058/3685034/9e83f9c1c8f1/e-69-0o875-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3058/3685034/257fc0899406/e-69-0o875-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3058/3685034/9e83f9c1c8f1/e-69-0o875-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3058/3685034/257fc0899406/e-69-0o875-fig2.jpg

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