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4'-(2-甲氧基喹啉-3-基)-1'-甲基-二螺[茚满-2,2'-吡咯烷-3',3''-吲哚啉]-1,3,2''-三酮的晶体结构

Crystal structure of 4'-(2-meth-oxy-quinolin-3-yl)-1'-methyl-dispiro-[indan-2,2'-pyrrolidine-3',3''-indoline]-1,3,2''-trione.

作者信息

Mathusalini Sadasivam, Viswanathan Vijayan, Mohan Palathurai Subramaniam, Lin Chia-Her, Velmurugan Devadasan

机构信息

Department of Chemistry, School of Chemical Sciences, Bharathiar University, Coimbatore 641 046, India.

Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Dec 12;71(Pt 12):o1038-9. doi: 10.1107/S2056989015023026. eCollection 2015 Dec 1.

DOI:10.1107/S2056989015023026
PMID:26870486
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4719967/
Abstract

In the title compound, C30H23N3O4, the central 1-methyl-pyrrolidine ring adopts a twist conformation on the N-CH2 bond. The pyrrolidin-2-one ring of the indolin-2-one ring system also has a twist conformation on the C-C bond involving the spiro C atom and the carbonyl C atom. The five-membered ring of the indene-1,3-dione moiety has an envelope conformation with the spiro C atom as the flap. The quinoline ring system adopts an almost planar conformation (r.m.s. deviation = 0.04 Å). The mean planes of the indolin-2-one ring system, the indene-1,3-dione ring system and the the quinoline ring system are inclined to the mean plane of the central 1-methyl-pyrrolidine ring by 77.97 (7), 86.98 (7) and 46.58 (6)°, respectively. In the crystal, mol-ecules are linked via N-H⋯N hydrogen bonds, forming chains along the b axis. The chains are linked via a number of C-H⋯O hydrogen bonds, and C-H⋯π and π-π inter-actions [inter-centroid distance = 3.7404 (9) Å], forming a three-dimensional network.

摘要

在标题化合物C30H23N3O4中,中心的1-甲基-吡咯烷环在N-CH2键上呈扭曲构象。吲哚啉-2-酮环系中的吡咯烷-2-酮环在涉及螺碳原子和羰基碳原子的C-C键上也呈扭曲构象。茚-1,3-二酮部分的五元环以螺碳原子为瓣呈信封构象。喹啉环系呈几乎平面的构象(均方根偏差 = 0.04 Å)。吲哚啉-2-酮环系、茚-1,3-二酮环系和喹啉环系的平均平面分别相对于中心的1-甲基-吡咯烷环的平均平面倾斜77.97(7)、86.98(7)和46.58(6)°。在晶体中,分子通过N-H⋯N氢键相连,沿b轴形成链。这些链通过许多C-H⋯O氢键以及C-H⋯π和π-π相互作用[质心间距 = 3.7404(9)Å]相连,形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/07f4/4719967/33af2565de70/e-71-o1038-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/07f4/4719967/a0aaccad5e74/e-71-o1038-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/07f4/4719967/b2218acee0ab/e-71-o1038-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/07f4/4719967/33af2565de70/e-71-o1038-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/07f4/4719967/a0aaccad5e74/e-71-o1038-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/07f4/4719967/b2218acee0ab/e-71-o1038-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/07f4/4719967/33af2565de70/e-71-o1038-fig3.jpg

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