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4-[(4-氯苯基)(苯基)甲基]哌嗪-1-鎓苦味酸盐一水合物

4-[(4-Chloro-phen-yl)(phen-yl)-meth-yl]-piperazin-1-ium picrate monohydrate.

作者信息

Song Yanxi, Chidan Kumar C S, Chandraju S, Naveen S, Li Hongqi

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2486. doi: 10.1107/S1600536812031984. Epub 2012 Jul 18.

DOI:10.1107/S1600536812031984
PMID:22904928
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3414941/
Abstract

The asymmetric unit of the title compound, C(17)H(20)ClN(2) (+)·C(6)H(2)N(3)O(7) (-)·H(2)O, contains a piperazin-1-ium cation, a picrate anion and one solvent water mol-ecule. The piperazene ring is protonated at one N atom and adopts a highly distorted chair conformation with the chloro-pheny(phen-yl)methyl substituent on the second N atom in an equatorial position. The crystal structure is stabilized by O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds.

摘要

标题化合物C(17)H(20)ClN(2) (+)·C(6)H(2)N(3)O(7) (-)·H(2)O的不对称单元包含一个哌嗪 - 1 - 鎓阳离子、一个苦味酸盐阴离子和一个溶剂水分子。哌嗪环在一个氮原子处质子化,并且具有高度扭曲的椅式构象,第二个氮原子上的氯苯基(苯基)甲基取代基处于赤道位置。晶体结构通过O - H⋯O、N - H⋯O和C - H⋯O氢键得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e13/3414941/beb7925e4a5e/e-68-o2486-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e13/3414941/beb7925e4a5e/e-68-o2486-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e13/3414941/beb7925e4a5e/e-68-o2486-fig1.jpg

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