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4-（4-氯苯基）-4-羟基哌啶苯甲酸酯

4-(4-Chloro-phen-yl)-4-hy-droxy-piperidinium benzoate.

作者信息

Jasinski Jerry P, Golen James A, Siddaraju B P, Dayananda A S, Yathirajan H S

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1436. doi: 10.1107/S1600536811017855. Epub 2011 May 20.

DOI:10.1107/S1600536811017855
PMID:21754814
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120431/
Abstract

In the title salt, C(11)H(15)ClNO(+)·C(7)H(5)O(2) (-), the dihedral angle between the mean planes of the chloro-phenyl ring of the cation and the benzene ring of the anion is 74.4 (1)°. In the cation, the six-membered piperazine ring adopts a chair conformation. The crystal packing is stabilized by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds, and weak inter-molecular C-H⋯O, C-H⋯Cl and C-H⋯π inter-actions.

摘要

在标题盐C(11)H(15)ClNO(+)·C(7)H(5)O(2) (-)中，阳离子的氯苯环平均平面与阴离子的苯环平均平面之间的二面角为74.4 (1)°。在阳离子中，六元哌嗪环呈椅式构象。晶体堆积通过分子间N-H⋯O和O-H⋯O氢键以及弱的分子间C-H⋯O、C-H⋯Cl和C-H⋯π相互作用得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5561/3120431/cceb8bf30c17/e-67-o1436-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5561/3120431/bb160e6321a1/e-67-o1436-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5561/3120431/cceb8bf30c17/e-67-o1436-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5561/3120431/bb160e6321a1/e-67-o1436-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5561/3120431/cceb8bf30c17/e-67-o1436-fig2.jpg

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