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2-(1,3-苯并二氧杂环戊烯-5-基)-1-[3-(2-氧代吡咯烷-1-基)丙基]-1H-苯并咪唑-5-羧酸乙酯

Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(2-oxopyrrolidin-1-yl)prop-yl]-1H-benz-imidazole-5-carboxyl-ate.

作者信息

Yoon Yeong Keng, Ali Mohamed Ashraf, Wei Ang Chee, Asik Safra Izuani Jama, Razak Ibrahim Abdul

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o471-2. doi: 10.1107/S1600536812001420. Epub 2012 Jan 21.

Abstract

In the title compound, C(24)H(25)N(3)O(5), the benzimidazole and benzodioxole ring systems are each approximately planar [maximum deviations = 0.043 (1) and 0.036 (1) Å, respectively]. Their mean planes form a dihedral angle of 42.85 (4)°. The pyrrolidine ring has an envelope conformation with one of the methyl-ene C atoms forming the flap. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. The crystal packing is further stabillized by weak π-π inter-actions between the benzene rings within the benzimidazole ring system [centroid-centroid distance = 3.7955 (7) Å]. A weak C-H⋯π inter-action involving the benzodioxole ring is also present.

摘要

在标题化合物C₂₄H₂₅N₃O₅中,苯并咪唑和苯并二氧杂环系统各自近似平面[最大偏差分别为0.043 (1) 和0.036 (1) Å]。它们的平均平面形成42.85 (4)°的二面角。吡咯烷环具有信封式构象,其中一个亚甲基C原子形成瓣。在晶体中,弱的C—H⋯O氢键将分子连接成三维网络。苯并咪唑环系统内苯环之间的弱π-π相互作用[质心-质心距离 = 3.7955 (7) Å]进一步稳定了晶体堆积。还存在涉及苯并二氧杂环的弱C—H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e0ed/3275223/fcf988727c88/e-68-0o471-fig1.jpg

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