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Ethane-1,2-diaminium bis(4-carboxy-2-propyl-1H-imidazole-5-carboxyate) monohydrate
In the title hydrated molecular salt, C(2)H(10)N(2) (2+)·2C(8)H(9)N(2)O(4) (−)·H(2)O, an intramolecular O—H⋯O hydrogen bond occurs in the anion, forming an S(7) ring. The –CO(2) and –CO(2)H groups make dihedral angles of 3.2 (2) and 2.0 (3)°, respectively, with the five-membered ring. In the crysta...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414266/ https://www.ncbi.nlm.nih.gov/pubmed/22904799 http://dx.doi.org/10.1107/S1600536812029406 |
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author | Ying, Yi-Mei Zhang, Tong Yang, Guang-Rui Ma, Ning |
author_facet | Ying, Yi-Mei Zhang, Tong Yang, Guang-Rui Ma, Ning |
author_sort | Ying, Yi-Mei |
collection | PubMed |
description | In the title hydrated molecular salt, C(2)H(10)N(2) (2+)·2C(8)H(9)N(2)O(4) (−)·H(2)O, an intramolecular O—H⋯O hydrogen bond occurs in the anion, forming an S(7) ring. The –CO(2) and –CO(2)H groups make dihedral angles of 3.2 (2) and 2.0 (3)°, respectively, with the five-membered ring. In the crystal, N—H⋯O, N—H⋯N and O—H⋯O hydrogen bonds lead to the formation of a three-dimensional supramolecular architecture. The methyl group in the anion is disordered over two sets of sites in a 0.716 (9):0.284 (9) ratio. The ethylenediamine cation is generated by symmetry and the water molecule lies on a twofold axis. |
format | Online Article Text |
id | pubmed-3414266 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34142662012-08-17 Ethane-1,2-diaminium bis(4-carboxy-2-propyl-1H-imidazole-5-carboxyate) monohydrate Ying, Yi-Mei Zhang, Tong Yang, Guang-Rui Ma, Ning Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title hydrated molecular salt, C(2)H(10)N(2) (2+)·2C(8)H(9)N(2)O(4) (−)·H(2)O, an intramolecular O—H⋯O hydrogen bond occurs in the anion, forming an S(7) ring. The –CO(2) and –CO(2)H groups make dihedral angles of 3.2 (2) and 2.0 (3)°, respectively, with the five-membered ring. In the crystal, N—H⋯O, N—H⋯N and O—H⋯O hydrogen bonds lead to the formation of a three-dimensional supramolecular architecture. The methyl group in the anion is disordered over two sets of sites in a 0.716 (9):0.284 (9) ratio. The ethylenediamine cation is generated by symmetry and the water molecule lies on a twofold axis. International Union of Crystallography 2012-07-04 /pmc/articles/PMC3414266/ /pubmed/22904799 http://dx.doi.org/10.1107/S1600536812029406 Text en © Ying et al. 2012 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 Ying, Yi-Mei Zhang, Tong Yang, Guang-Rui Ma, Ning Ethane-1,2-diaminium bis(4-carboxy-2-propyl-1H-imidazole-5-carboxyate) monohydrate |
title | Ethane-1,2-diaminium bis(4-carboxy-2-propyl-1H-imidazole-5-carboxyate) monohydrate |
title_full | Ethane-1,2-diaminium bis(4-carboxy-2-propyl-1H-imidazole-5-carboxyate) monohydrate |
title_fullStr | Ethane-1,2-diaminium bis(4-carboxy-2-propyl-1H-imidazole-5-carboxyate) monohydrate |
title_full_unstemmed | Ethane-1,2-diaminium bis(4-carboxy-2-propyl-1H-imidazole-5-carboxyate) monohydrate |
title_short | Ethane-1,2-diaminium bis(4-carboxy-2-propyl-1H-imidazole-5-carboxyate) monohydrate |
title_sort | ethane-1,2-diaminium bis(4-carboxy-2-propyl-1h-imidazole-5-carboxyate) monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414266/ https://www.ncbi.nlm.nih.gov/pubmed/22904799 http://dx.doi.org/10.1107/S1600536812029406 |
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