Piperazine-1,4-diium bis­(hydrogen 2-propyl-1H-imidazole-4,5-dicarbox­ylate) monohydrate

The title compound, C(4)H(12)N(2) (2+)·2C(8)H(9)N(2)O(4) (−)·H(2)O, is a hydrated proton-transfer compound obtained from 2-propyl-1H-imidazole-4,5-dicarb­oxy­lic acid and piperazine. The asymmetric unit contains one half-cation, one anion and half a water mol­ecule. There is a centre of inversion at...

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Detalles Bibliográficos
Autores principales: Gao, Zhu-Qing, Gu, Jin-Zhong
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050275/
https://www.ncbi.nlm.nih.gov/pubmed/21522743
http://dx.doi.org/10.1107/S1600536810049822
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author Gao, Zhu-Qing
Gu, Jin-Zhong
author_facet Gao, Zhu-Qing
Gu, Jin-Zhong
author_sort Gao, Zhu-Qing
collection PubMed
description The title compound, C(4)H(12)N(2) (2+)·2C(8)H(9)N(2)O(4) (−)·H(2)O, is a hydrated proton-transfer compound obtained from 2-propyl-1H-imidazole-4,5-dicarb­oxy­lic acid and piperazine. The asymmetric unit contains one half-cation, one anion and half a water mol­ecule. There is a centre of inversion at the centre of the cation ring and the water molecule O atom lies on a twofold rotation axis. In the crystal, inter­molecular N—H⋯O and N—H⋯N hydrogen bonds help to construct a three-dimensional framework. Almost symmetrical, intramolecular O—H⋯O inter­actions are also observed.
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spelling pubmed-30502752011-04-26 Piperazine-1,4-diium bis­(hydrogen 2-propyl-1H-imidazole-4,5-dicarbox­ylate) monohydrate Gao, Zhu-Qing Gu, Jin-Zhong Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(4)H(12)N(2) (2+)·2C(8)H(9)N(2)O(4) (−)·H(2)O, is a hydrated proton-transfer compound obtained from 2-propyl-1H-imidazole-4,5-dicarb­oxy­lic acid and piperazine. The asymmetric unit contains one half-cation, one anion and half a water mol­ecule. There is a centre of inversion at the centre of the cation ring and the water molecule O atom lies on a twofold rotation axis. In the crystal, inter­molecular N—H⋯O and N—H⋯N hydrogen bonds help to construct a three-dimensional framework. Almost symmetrical, intramolecular O—H⋯O inter­actions are also observed. International Union of Crystallography 2010-12-04 /pmc/articles/PMC3050275/ /pubmed/21522743 http://dx.doi.org/10.1107/S1600536810049822 Text en © Gao and Gu 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Gao, Zhu-Qing
Gu, Jin-Zhong
Piperazine-1,4-diium bis­(hydrogen 2-propyl-1H-imidazole-4,5-dicarbox­ylate) monohydrate
title Piperazine-1,4-diium bis­(hydrogen 2-propyl-1H-imidazole-4,5-dicarbox­ylate) monohydrate
title_full Piperazine-1,4-diium bis­(hydrogen 2-propyl-1H-imidazole-4,5-dicarbox­ylate) monohydrate
title_fullStr Piperazine-1,4-diium bis­(hydrogen 2-propyl-1H-imidazole-4,5-dicarbox­ylate) monohydrate
title_full_unstemmed Piperazine-1,4-diium bis­(hydrogen 2-propyl-1H-imidazole-4,5-dicarbox­ylate) monohydrate
title_short Piperazine-1,4-diium bis­(hydrogen 2-propyl-1H-imidazole-4,5-dicarbox­ylate) monohydrate
title_sort piperazine-1,4-diium bis­(hydrogen 2-propyl-1h-imidazole-4,5-dicarbox­ylate) monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050275/
https://www.ncbi.nlm.nih.gov/pubmed/21522743
http://dx.doi.org/10.1107/S1600536810049822
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