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1-(丁-2-基)-2-(2-甲氧基苯基)-1H-苯并咪唑-5-羧酸乙酯

Ethyl 1-(butan-2-yl)-2-(2-meth-oxy-phen-yl)-1H-benzimidazole-5-carboxyl-ate.

作者信息

Arumugam Natarajan, Ngah Nurziana, Osman Hasnah, Abdul Rahim Aisyah Saad

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3231-2. doi: 10.1107/S1600536811046095. Epub 2011 Nov 9.

DOI:10.1107/S1600536811046095
PMID:22199745
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3238892/
Abstract

In the title compound, C(21)H(24)N(2)O(3), the mean planes of the benzene ring and the benzimidazole ring system form a dihedral angle of 69.94 (7)°. The ethyl group atoms of the ethano-ate fragment are disordered over two sets of sites, with refined occupancies of 0.742 (6) and 0.258 (6). In the crystal, there are weak C-H⋯N hydrogen bonds which connect mol-ecules into chains along the b axis. A weak inter-molecular C-H⋯π inter-action is also observed.

摘要

在标题化合物C₂₁H₂₄N₂O₃中，苯环和苯并咪唑环系统的平均平面形成69.94 (7)°的二面角。乙酸乙酯片段的乙基原子在两组位置上无序，精修占有率分别为0.742 (6)和0.258 (6)。在晶体中，存在弱的C—H⋯N氢键，这些氢键将分子沿b轴连接成链。还观察到弱的分子间C—H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/528b/3238892/10a25ba50273/e-67-o3231-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/528b/3238892/4420f5a124b8/e-67-o3231-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/528b/3238892/10a25ba50273/e-67-o3231-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/528b/3238892/4420f5a124b8/e-67-o3231-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/528b/3238892/10a25ba50273/e-67-o3231-fig2.jpg

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