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3-[(1H-苯并咪唑-1-基)甲基]-1-甲基-4-(4-甲基苯基)-2'-氧代吡咯烷-2-螺-3'-1-苯并咪唑-3-羧酸甲酯

Methyl 3-[(1H-benzimidazol-1-yl)meth-yl]-1-methyl-4-(4-methyl-phen-yl)-2'-oxopyrrolidine-2-spiro-3'-1-benzimidazole-3-carboxyl-ate.

作者信息

Selvanayagam S, Sridhar B, Ravikumar K, Kathiravan S, Raghunathan R

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 4;66(Pt 10):o2508-9. doi: 10.1107/S1600536810035312.

Abstract

In the title compound, C(29)H(28)N(4)O(3), the pyrrolidine ring adopts a twist conformation whereas the oxindole and benzimidazole residues are approximately planar with maximum deviations of 0.159 (1) and 0.011 (1) Å, respectively. The oxindole residue is almost perpendicular to the benzimidazole residue, making a dihedral angle of 89.2 (1)°. The methyl-substituted benzene ring is oriented at angles of 47.7 (1) and 71.0 (1)°, respectively, with respect to the oxindole and benzimidazole residues. An intra-molecular C-H⋯O hydrogen bond is observed. In the crystal, mol-ecules associate via N-H⋯N hydrogen bonds, forming R(2) (2)(9) dimers.

摘要

在标题化合物C₂₉H₂₈N₄O₃中,吡咯烷环呈扭曲构象,而吲哚酮和苯并咪唑残基近似平面,最大偏差分别为0.159 (1) Å和0.011 (1) Å。吲哚酮残基几乎垂直于苯并咪唑残基,二面角为89.2 (1)°。甲基取代的苯环相对于吲哚酮和苯并咪唑残基的取向角分别为47.7 (1)°和71.0 (1)°。观察到分子内存在C—H⋯O氢键。在晶体中,分子通过N—H⋯N氢键缔合,形成R₂²(9)二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8ba6/2983424/a2a04ad89440/e-66-o2508-fig1.jpg

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