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3-羟基-1-甲基-2-[4-(哌啶-1-基)苯基]喹啉-4(1H)-酮

3-Hy-droxy-1-methyl-2-[4-(piperidin-1-yl)phen-yl]quinolin-4(1H)-one.

作者信息

Wera Michał, Pivovarenko Vasyl G, Sikorski Artur, Lis Tadeusz, Błażejowski Jerzy

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 19;67(Pt 3):o654. doi: 10.1107/S1600536811005046.

DOI:10.1107/S1600536811005046
PMID:21522406
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3051995/
Abstract

There are two structurally similar but crystallographically independent mol-ecules (A and B) in the asymmetric unit of the title compound, C(21)H(22)N(2)O(2), which are linked via two O-H⋯O hydrogen bonds. An intramolecular O-H⋯O hydrogen bond also occurs in each molecule. In the crystal, the A and B mol-ecules are further linked through C-H⋯O inter-actions. The benzene ring is twisted at an angle of 69.9 (1) and 83.4 (1)° relative to the 1,4-dihydro-quinoline skeleton in mol-ecules A and B, respectively. Adjacent 1,4-dihydro-quinoline units of mol-ecules A are parallel, while mol-ecules A and B are oriented at an angle of 32.8 (1)°.

摘要

在标题化合物C(21)H(22)N(2)O(2)的不对称单元中有两个结构相似但晶体学独立的分子（A和B），它们通过两个O-H⋯O氢键相连。每个分子中还存在一个分子内O-H⋯O氢键。在晶体中，A和B分子通过C-H⋯O相互作用进一步相连。相对于分子A和B中的1,4-二氢喹啉骨架，苯环分别扭转了69.9 (1)°和83.4 (1)°。分子A的相邻1,4-二氢喹啉单元是平行的，而分子A和B的取向角度为32.8 (1)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f27c/3051995/c21120dc65ba/e-67-0o654-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f27c/3051995/7cd76be7246b/e-67-0o654-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f27c/3051995/c21120dc65ba/e-67-0o654-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f27c/3051995/7cd76be7246b/e-67-0o654-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f27c/3051995/c21120dc65ba/e-67-0o654-fig2.jpg

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