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3,3'-（哌嗪-1,4-二鎓-1,4-二基）二丙酸二水合物

3,3'-(Piperazine-1,4-diium-1,4-di-yl)di-propionate dihydrate.

作者信息

Jin Shouwen, Huang Yanfei, Fang Hao, Wang Tianyi, Ding Liangliang

机构信息

Tianmu College of ZheJiang A & F University, Lin'An 311300, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2827. doi: 10.1107/S1600536812037312. Epub 2012 Sep 1.

DOI:10.1107/S1600536812037312
PMID:23125633
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3470189/
Abstract

During the recrystallization of 3-[4-(2-carb-oxy-eth-yl)piperazin-1-yl]propionic acid, the carb-oxy-lic acid H atoms were transferred to the piperazine N atoms, forming the title compound, C(10)H(18)N(2)O(4)·2H(2)O, in which the zwitterion lies about an inversion center. In the crystal, bifurcated N-H⋯(O,O) hydrogen bonds connect the zwitterions into a two-dimensional framework parallel to (-102) forming R(4) (4)(30) rings. O-H⋯O hydrogen bonds involving the solvent water mol-ecules connect the two-dimensional framework into a three-dimensional network. In addition, weak C-H⋯O hydrogen bonds are observed.

摘要

在3-[4-(2-羧基乙基)哌嗪-1-基]丙酸重结晶过程中，羧酸H原子转移至哌嗪N原子上，形成标题化合物C(10)H(18)N(2)O(4)·2H(2)O，其中两性离子位于一个反演中心周围。在晶体中，分叉的N-H⋯(O,O)氢键将两性离子连接成平行于(-102)的二维框架，形成R(4)(4)(30)环。涉及溶剂水分子的O-H⋯O氢键将二维框架连接成三维网络。此外，还观察到弱的C-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8127/3470189/3edb9d034b7b/e-68-o2827-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8127/3470189/8152cf76e027/e-68-o2827-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8127/3470189/3edb9d034b7b/e-68-o2827-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8127/3470189/8152cf76e027/e-68-o2827-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8127/3470189/3edb9d034b7b/e-68-o2827-fig2.jpg

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