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

Methyl 3-(4-bromo-phen-yl)-2-(1H-indol-3-ylmeth-yl)-5-[1-(4-methoxy-phen-yl)-4-oxo-2-phenyl-azetidin-2-yl]-4-nitro-pyrrolidine-2-carboxyl-ate.

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 17;64(Pt 6):o1095-6. doi: 10.1107/S1600536808014190.

DOI:10.1107/S1600536808014190
PMID:21202610
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2961354/
Abstract

In the title compound, C(37)H(33)BrN(4)O(6), the pyrrolidine ring adopts an envelope conformation. The β-lactam ring is planar and makes dihedral angles of 70.16 (13) and 28.32 (13)° with the phenyl and 4-methoxy-phenyl rings, respectively. The mol-ecular packing is stabilized by intra-molecular C-H⋯O inter-actions and the crystal packing is determined by inter-molecular N-H⋯O hydrogen bonds, and C-H⋯O and C-H⋯π inter-actions.

摘要

在标题化合物C(37)H(33)BrN(4)O(6)中，吡咯烷环呈信封式构象。β-内酰胺环是平面的，分别与苯环和4-甲氧基苯环形成70.16 (13)°和28.32 (13)°的二面角。分子堆积通过分子内C-H⋯O相互作用得以稳定，晶体堆积由分子间N-H⋯O氢键以及C-H⋯O和C-H⋯π相互作用决定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ab5d/2961354/d75a125b5cfa/e-64-o1095-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ab5d/2961354/d9a2fbff0126/e-64-o1095-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ab5d/2961354/d75a125b5cfa/e-64-o1095-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ab5d/2961354/d9a2fbff0126/e-64-o1095-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ab5d/2961354/d75a125b5cfa/e-64-o1095-fig2.jpg

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