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3-Carboxy­methyl-1,3-benzimidazolium-1-acetate monohydrate

The title compound, C(11)H(10)N(2)O(4)·H(2)O, has a zwitterionic structure, in which the benzimidazole ring system is planar, with a maximum deviation of 0.007 (3) Å. The carbox­yl/carboxyl­ate groups adopt a trans configuration. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds involvi...

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Detalles Bibliográficos
Autores principales: Miao, Jinling, Nie, Yong, Chen, Hongwei, Li, Jingtao, Wang, Daqi
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977158/
https://www.ncbi.nlm.nih.gov/pubmed/21583676
http://dx.doi.org/10.1107/S1600536809027391
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author Miao, Jinling
Nie, Yong
Chen, Hongwei
Li, Jingtao
Wang, Daqi
author_facet Miao, Jinling
Nie, Yong
Chen, Hongwei
Li, Jingtao
Wang, Daqi
author_sort Miao, Jinling
collection PubMed
description The title compound, C(11)H(10)N(2)O(4)·H(2)O, has a zwitterionic structure, in which the benzimidazole ring system is planar, with a maximum deviation of 0.007 (3) Å. The carbox­yl/carboxyl­ate groups adopt a trans configuration. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds involving the hydr­oxy/oxide O atoms link the mol­ecules into a one-dimensional chain. These chains are further linked by O—H⋯O hydrogen bonds involving the water mol­ecules into a two-dimensional network. π–π contacts between the benzimidazole rings [centroid–centroid distance = 3.5716 (4) Å] lead to the formation of a three-dimensional supra­molecular structure.
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spelling pubmed-29771582010-12-30 3-Carboxy­methyl-1,3-benzimidazolium-1-acetate monohydrate Miao, Jinling Nie, Yong Chen, Hongwei Li, Jingtao Wang, Daqi Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(11)H(10)N(2)O(4)·H(2)O, has a zwitterionic structure, in which the benzimidazole ring system is planar, with a maximum deviation of 0.007 (3) Å. The carbox­yl/carboxyl­ate groups adopt a trans configuration. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds involving the hydr­oxy/oxide O atoms link the mol­ecules into a one-dimensional chain. These chains are further linked by O—H⋯O hydrogen bonds involving the water mol­ecules into a two-dimensional network. π–π contacts between the benzimidazole rings [centroid–centroid distance = 3.5716 (4) Å] lead to the formation of a three-dimensional supra­molecular structure. International Union of Crystallography 2009-07-25 /pmc/articles/PMC2977158/ /pubmed/21583676 http://dx.doi.org/10.1107/S1600536809027391 Text en © Miao et al. 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
Miao, Jinling
Nie, Yong
Chen, Hongwei
Li, Jingtao
Wang, Daqi
3-Carboxy­methyl-1,3-benzimidazolium-1-acetate monohydrate
title 3-Carboxy­methyl-1,3-benzimidazolium-1-acetate monohydrate
title_full 3-Carboxy­methyl-1,3-benzimidazolium-1-acetate monohydrate
title_fullStr 3-Carboxy­methyl-1,3-benzimidazolium-1-acetate monohydrate
title_full_unstemmed 3-Carboxy­methyl-1,3-benzimidazolium-1-acetate monohydrate
title_short 3-Carboxy­methyl-1,3-benzimidazolium-1-acetate monohydrate
title_sort 3-carboxy­methyl-1,3-benzimidazolium-1-acetate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977158/
https://www.ncbi.nlm.nih.gov/pubmed/21583676
http://dx.doi.org/10.1107/S1600536809027391
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