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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2977158 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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