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3-(2-氯苯基)-2-(1H-吲哚-3-基甲基)-5-[1-(4-甲氧基苯基)-4-氧代-3-苯基氮杂环丁烷-2-基]-4-硝基吡咯烷-2-甲酸甲酯

Methyl 3-(2-chlorophenyl)-2-(1H-indol-3-ylmethyl)-5-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-4-nitropyr-rolidine-2-carboxylate.

作者信息

Nirmala S, Kamala E Theboral Sugi, Sudha L, Arumugam N, Raghunathan R

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 May 14;64(Pt 6):o1070-1. doi: 10.1107/S1600536808013585.

Abstract

In the mol-ecule of the title compound, C(37)H(33)ClN(4)O(6), the four-membered β-lactam ring is essentially planar and is oriented at dihedral angles of 30.0 (1), 76.3 (1) and 30.9 (1)° with respect to the methoxy-phenyl ring, the phenyl ring and the indole unit, respectively. The pyrrolidine ring adopts a twist conformation. Intra-molecular C-H⋯Cl and C-H⋯O hydrogen bonds result in the formation of two five- and one six-membered rings. In the crystal structure, inter-molecular C-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules. A weak π⋯π inter-action between the pyrrole rings further stabilizes the structure, with a centroid-centroid distance of 3.806 (2) Å.

摘要

在标题化合物C(37)H(33)ClN(4)O(6)的分子中,四元β-内酰胺环基本呈平面状,相对于甲氧基苯环、苯环和吲哚单元的二面角分别为30.0 (1)、76.3 (1)和30.9 (1)°。吡咯烷环呈扭曲构象。分子内的C-H⋯Cl和C-H⋯O氢键导致形成两个五元环和一个六元环。在晶体结构中,分子间的C-H⋯O和N-H⋯O氢键连接这些分子。吡咯环之间的弱π⋯π相互作用进一步稳定了结构,质心间距为3.806 (2) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7bd5/2961341/9a63ec7172c8/e-64-o1070-fig1.jpg

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