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1-[3-(2-氧代吡咯烷-1-基)丙基]-2-苯基-1H-苯并咪唑-5-羧酸乙酯

Ethyl 1-[3-(2-oxopyrrolidin-1-yl)prop-yl]-2-phenyl-1H-benzimidazole-5-carboxyl-ate.

作者信息

Yoon Yeong Keng, Ali Mohamed Ashraf, Choon Tan Soo, Asik Safra Izuani Jama, Razak Ibrahim Abdul

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o251-2. doi: 10.1107/S1600536811054833. Epub 2012 Jan 7.

DOI:10.1107/S1600536811054833
PMID:22346899
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3274946/
Abstract

In the title compound, C(23)H(25)N(3)O(3), the benzimidazole ring system is essentially planar [maximum deviation = 0.0240 (18) Å]. The mean plane through this ring system forms a dihedral angle of 42.23 (7)° with the benzene ring. The pyrrolidine ring is in an envelope conformation with the flap atom disordered over two sites with occupancies of 0.813 (11) and 0.187 (11). In the crystal, weak C-H⋯O hydrogen bonds form R(2) (2)(10) ring motifs, which are connected by further C-H⋯O inter-actions, forming ribbons along the b axis. The crystal structure is further stabilized by weak π-π inter-actions involving the imidazole and benzene rings of the benzimidazole ring system [centroid-centroid distances = 3.6788 (11) and 3.6316 (10) Å] and weak C-H⋯π inter-actions.

摘要

在标题化合物C₂₃H₂₅N₃O₃中,苯并咪唑环系基本呈平面状[最大偏差 = 0.0240 (18) Å]。通过该环系的平均平面与苯环形成42.23 (7)°的二面角。吡咯烷环呈信封式构象,瓣原子在两个位置上无序,占有率分别为0.813 (11)和0.187 (11)。在晶体中,弱的C—H⋯O氢键形成R₂²(10)环基序,并通过进一步的C—H⋯O相互作用相连,沿b轴形成带状结构。晶体结构通过涉及苯并咪唑环系的咪唑环和苯环的弱π–π相互作用[质心-质心距离 = 3.6788 (11)和3.6316 (10) Å]以及弱的C—H⋯π相互作用进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6d64/3274946/e4b20010ff98/e-68-0o251-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6d64/3274946/9133765ddeb8/e-68-0o251-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6d64/3274946/e4b20010ff98/e-68-0o251-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6d64/3274946/9133765ddeb8/e-68-0o251-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6d64/3274946/e4b20010ff98/e-68-0o251-fig2.jpg

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