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2-(4-溴苯基)-1-(5-叔丁基-1H-吡唑-3-基)-1H-苯并咪唑-5-羧酸甲酯：由边缘稠合中心对称环组成的氢键链

Methyl 2-(4-bromophenyl)-1-(5-tert-butyl-1H-pyrazol-3-yl)-1H-benzimidazole-5-carboxylate: a hydrogen-bonded chain of edge-fused centrosymmetric rings.

作者信息

Cortés Edwar, Abonía Rodrigo, Cobo Justo, Glidewell Christopher

机构信息

Departamento de Química, Universidad del Valle, Cali, Colombia.

出版信息

Acta Crystallogr C. 2011 Feb;67(Pt 2):o64-6. doi: 10.1107/S0108270110052911. Epub 2011 Jan 12.

DOI:10.1107/S0108270110052911
PMID:21285504
Abstract

In the title compound, C(22)H(21)BrN(4)O(2), the imidazole and pyrazole rings are almost orthogonal to each other, but the ester unit is effectively coplanar with the adjacent aryl rings. The molecules are linked into a chain of edge-fused centrosymmetric rings by a combination of N-H···O and C-H···π(arene) hydrogen bonds.

摘要

在标题化合物C₂₂H₂₁BrN₄O₂中，咪唑环和吡唑环几乎相互正交，但酯单元与相邻的芳环有效共面。分子通过N-H···O和C-H···π（芳烃）氢键的组合连接成边缘稠合的中心对称环链。

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