1H-Benzimidazol-3-ium-2-carboxyl­ate dihydrate

The title compound, C(8)H(6)N(2)O(2)·2H(2)O, crystallized as a zwitterion with the carboxyl group deprotonated and the imidazole group protonated. The dihedral angle between the benzimidazole ring and the pendant –CO(2) group is 0.62 (2)°. In the crystal, mol­ecules are linked into a three-dimension...

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Detalles Bibliográficos
Autores principales: Yao, Xing-Jun, Yuan, Qian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120509/
https://www.ncbi.nlm.nih.gov/pubmed/21754784
http://dx.doi.org/10.1107/S1600536811017399
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author Yao, Xing-Jun
Yuan, Qian
author_facet Yao, Xing-Jun
Yuan, Qian
author_sort Yao, Xing-Jun
collection PubMed
description The title compound, C(8)H(6)N(2)O(2)·2H(2)O, crystallized as a zwitterion with the carboxyl group deprotonated and the imidazole group protonated. The dihedral angle between the benzimidazole ring and the pendant –CO(2) group is 0.62 (2)°. In the crystal, mol­ecules are linked into a three-dimensional network by N—H⋯O and O—H⋯O hydrogen bonds.
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spelling pubmed-31205092011-07-13 1H-Benzimidazol-3-ium-2-carboxyl­ate dihydrate Yao, Xing-Jun Yuan, Qian Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(8)H(6)N(2)O(2)·2H(2)O, crystallized as a zwitterion with the carboxyl group deprotonated and the imidazole group protonated. The dihedral angle between the benzimidazole ring and the pendant –CO(2) group is 0.62 (2)°. In the crystal, mol­ecules are linked into a three-dimensional network by N—H⋯O and O—H⋯O hydrogen bonds. International Union of Crystallography 2011-05-14 /pmc/articles/PMC3120509/ /pubmed/21754784 http://dx.doi.org/10.1107/S1600536811017399 Text en © Yao and Yuan 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
Yao, Xing-Jun
Yuan, Qian
1H-Benzimidazol-3-ium-2-carboxyl­ate dihydrate
title 1H-Benzimidazol-3-ium-2-carboxyl­ate dihydrate
title_full 1H-Benzimidazol-3-ium-2-carboxyl­ate dihydrate
title_fullStr 1H-Benzimidazol-3-ium-2-carboxyl­ate dihydrate
title_full_unstemmed 1H-Benzimidazol-3-ium-2-carboxyl­ate dihydrate
title_short 1H-Benzimidazol-3-ium-2-carboxyl­ate dihydrate
title_sort 1h-benzimidazol-3-ium-2-carboxyl­ate dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120509/
https://www.ncbi.nlm.nih.gov/pubmed/21754784
http://dx.doi.org/10.1107/S1600536811017399
work_keys_str_mv AT yaoxingjun 1hbenzimidazol3ium2carboxylatedihydrate
AT yuanqian 1hbenzimidazol3ium2carboxylatedihydrate

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