4-Carb­oxy-2-methyl-1H-imidazol-3-ium-5-carboxyl­ate monohydrate

In the title compound, C(6)H(6)N(2)O(4)·H(2)O, one carboxyl group is deprotonated and one imidazole N atom is protonated. The organic mol­ecule, excluding methyl H atoms, is essentially planar, with an r.m.s. deviation of 0.0156 (1) Å. In the crystal structure, inter­molecular N—H⋯O hydrogen bonds l...

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Autor principal: Guo, Yu-Ping
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2967941/
https://www.ncbi.nlm.nih.gov/pubmed/21581665
http://dx.doi.org/10.1107/S1600536808040221
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author Guo, Yu-Ping
author_facet Guo, Yu-Ping
author_sort Guo, Yu-Ping
collection PubMed
description In the title compound, C(6)H(6)N(2)O(4)·H(2)O, one carboxyl group is deprotonated and one imidazole N atom is protonated. The organic mol­ecule, excluding methyl H atoms, is essentially planar, with an r.m.s. deviation of 0.0156 (1) Å. In the crystal structure, inter­molecular N—H⋯O hydrogen bonds link mol­ecules into chains along the b axis; these chains are further linked via O—H⋯O hydrogen bonds involving the water O atoms and carboxyl O atoms, generating a two-dimensional supra­molecular framework.
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spelling pubmed-29679412010-12-30 4-Carb­oxy-2-methyl-1H-imidazol-3-ium-5-carboxyl­ate monohydrate Guo, Yu-Ping Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(6)H(6)N(2)O(4)·H(2)O, one carboxyl group is deprotonated and one imidazole N atom is protonated. The organic mol­ecule, excluding methyl H atoms, is essentially planar, with an r.m.s. deviation of 0.0156 (1) Å. In the crystal structure, inter­molecular N—H⋯O hydrogen bonds link mol­ecules into chains along the b axis; these chains are further linked via O—H⋯O hydrogen bonds involving the water O atoms and carboxyl O atoms, generating a two-dimensional supra­molecular framework. International Union of Crystallography 2008-12-06 /pmc/articles/PMC2967941/ /pubmed/21581665 http://dx.doi.org/10.1107/S1600536808040221 Text en © Yu-Ping Guo 2009 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
Guo, Yu-Ping
4-Carb­oxy-2-methyl-1H-imidazol-3-ium-5-carboxyl­ate monohydrate
title 4-Carb­oxy-2-methyl-1H-imidazol-3-ium-5-carboxyl­ate monohydrate
title_full 4-Carb­oxy-2-methyl-1H-imidazol-3-ium-5-carboxyl­ate monohydrate
title_fullStr 4-Carb­oxy-2-methyl-1H-imidazol-3-ium-5-carboxyl­ate monohydrate
title_full_unstemmed 4-Carb­oxy-2-methyl-1H-imidazol-3-ium-5-carboxyl­ate monohydrate
title_short 4-Carb­oxy-2-methyl-1H-imidazol-3-ium-5-carboxyl­ate monohydrate
title_sort 4-carb­oxy-2-methyl-1h-imidazol-3-ium-5-carboxyl­ate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2967941/
https://www.ncbi.nlm.nih.gov/pubmed/21581665
http://dx.doi.org/10.1107/S1600536808040221
work_keys_str_mv AT guoyuping 4carboxy2methyl1himidazol3ium5carboxylatemonohydrate

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