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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...

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Autores principales: Ying, Yi-Mei, Zhang, Tong, Yang, Guang-Rui, Ma, Ning
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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