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(1R*,3'S*,4'R*)-4'-(4-氯苯基)-3'-[(4-羟基-2-氧代-1,2-二氢喹啉-3-基)羰基]-1'-甲基-螺[苊烯-1,2'-吡咯烷]-2-酮

(1R*,3'S*,4'R*)-4'-(4-Chloro-phen-yl)-3'-[(4-hy-droxy-2-oxo-1,2-dihydro-quinolin-3-yl)carbon-yl]-1'-methyl-spiro-[ace-naphthyl-ene-1,2'-pyrrolidin]-2-one.

作者信息

Vennila K N, Sankaran M, Mohan P S, Velmurugan D

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3376-7. doi: 10.1107/S1600536811048896. Epub 2011 Nov 19.

DOI:10.1107/S1600536811048896
PMID:22199868
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3239020/
Abstract

The title compound, C(32)H(23)ClN(2)O(4), has a quinoline, a chloro-phenyl and an acenaphthalene ring system attached to a central pyrrolidine ring, which has three stereogenic centers. Nevertheless, the compound crystallizes as a racemate with two mol-ecules of identical chirality in the asymmetric unit. They differ in the conformation of the five-membered pyrrolidine ring; in one molecule it has an envelope conformation, while in the other molecule it has a twisted conformation. In each molecule there is an intra-molecular O-H⋯O hydrogen bond making an S(6) ring motif. In the crystal, pairs of N-H⋯O hydrogen bonds produce inversion dimers with R(2) (2)(8) motifs. There are also C-H⋯O interactions present. The crystal structure contains voids (60 Å(3)) within which there is no evidence of solvent mol-ecules.

摘要

标题化合物C(32)H(23)ClN(2)O(4)具有一个喹啉环、一个氯苯基和一个萘嵌苯环系统连接到一个中心吡咯烷环上,该吡咯烷环有三个手性中心。然而,该化合物以对映体混合物形式结晶,在不对称单元中有两个具有相同手性的分子。它们在五元吡咯烷环的构象上有所不同;在一个分子中它具有信封式构象,而在另一个分子中它具有扭曲构象。在每个分子中存在一个分子内O-H⋯O氢键,形成一个S(6)环模式。在晶体中,成对的N-H⋯O氢键产生具有R(2) (2)(8)模式的反演二聚体。还存在C-H⋯O相互作用。晶体结构包含空隙(60 Å(3)),其中没有溶剂分子的迹象。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ab7a/3239020/bf3dbf4037cf/e-67-o3376-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ab7a/3239020/8673675b5c44/e-67-o3376-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ab7a/3239020/bf3dbf4037cf/e-67-o3376-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ab7a/3239020/8673675b5c44/e-67-o3376-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ab7a/3239020/bf3dbf4037cf/e-67-o3376-fig2.jpg

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