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1-苯基-2-[4-(三氟甲氧基)苯基]-1H-苯并咪唑-5-羧酸乙酯

Ethyl 1-phenyl-2-[4-(trifluoro-meth-oxy)phen-yl]-1H-benzimidazole-5-carboxyl-ate.

作者信息

Yoon Yeong Keng, Ali Mohamed Ashraf, Choon Tan Soo, Arshad Suhana, Razak Ibrahim Abdul

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2715-6. doi: 10.1107/S1600536812034903. Epub 2012 Aug 15.

DOI:10.1107/S1600536812034903
PMID:22969602
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3435731/
Abstract

In the title compound, C(23)H(17)F(3)N(2)O(3), an intra-molecular C-H⋯F hydrogen bond generates an S(6) ring motif. The essentially planar 1H-benzimidazole ring system [maximum deviation = 0.021 (2) Å] forms dihedral angles of 25.00 (10) and 62.53 (11)° with the trifluoro-meth-oxy-substituted benzene and phenyl rings, respectively. The twist of the ethyl acetate group from the least-squares plane of the 1H-benzimidazole ring system is defined by a C(=O)-O-C-C torsion angle of 79.5 (3)°. In the crystal, mol-ecules are linked into a two-dimensional network parallel to the bc plane by weak C-H⋯N and C-H⋯O hydrogen bonds. Weak C-H⋯π inter-actions also observed.

摘要

在标题化合物C₂₃H₁₇F₃N₂O₃中,分子内C—H⋯F氢键形成一个S(6)环 motif。基本呈平面状的1H-苯并咪唑环系统[最大偏差 = 0.021 (2) Å] 与三氟甲氧基取代的苯环和苯环分别形成25.00 (10)°和62.53 (11)°的二面角。乙酸乙酯基团相对于1H-苯并咪唑环系统最小二乘平面的扭转由C(=O)—O—C—C扭转角79.5 (3)°确定。在晶体中,分子通过弱C—H⋯N和C—H⋯O氢键连接成平行于bc平面的二维网络。还观察到弱C—H⋯π相互作用。

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本文引用的文献

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Ethyl 2-(4-bromo-phen-yl)-1-phenyl-1H-benzimidazole-5-carboxyl-ate.
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5
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