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Propane-1,3-diaminium bis(pyridine-4-carboxylate) monohydrate
The asymmetric unit of the title compound, C(3)H(12)N(2) (2+)·2C(6)H(4)NO(2) (−)·H(2)O, consists of half of a doubly protonated propane-1,3-diammonium dication, a pyridine-4-carboxylate anion and half of a solvent water molecule; the dication and the solvent water are located on a twofold rotation...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200944/ https://www.ncbi.nlm.nih.gov/pubmed/22065654 http://dx.doi.org/10.1107/S1600536811033502 |
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author | Brito, Iván Vallejos, Javier Cárdenas, Alejandro López-Rodríguez, Matías |
author_facet | Brito, Iván Vallejos, Javier Cárdenas, Alejandro López-Rodríguez, Matías |
author_sort | Brito, Iván |
collection | PubMed |
description | The asymmetric unit of the title compound, C(3)H(12)N(2) (2+)·2C(6)H(4)NO(2) (−)·H(2)O, consists of half of a doubly protonated propane-1,3-diammonium dication, a pyridine-4-carboxylate anion and half of a solvent water molecule; the dication and the solvent water are located on a twofold rotation axis which passes through the central C atom of the dication and the water O atom. The carboxylate group of the anion appears to be delocalized on the basis of the C—O bond lengths. In the crystal, the components are linked by intermolecular N—H⋯O, N—H⋯N and O—H⋯O hydrogen bonds. |
format | Online Article Text |
id | pubmed-3200944 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32009442011-11-06 Propane-1,3-diaminium bis(pyridine-4-carboxylate) monohydrate Brito, Iván Vallejos, Javier Cárdenas, Alejandro López-Rodríguez, Matías Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(3)H(12)N(2) (2+)·2C(6)H(4)NO(2) (−)·H(2)O, consists of half of a doubly protonated propane-1,3-diammonium dication, a pyridine-4-carboxylate anion and half of a solvent water molecule; the dication and the solvent water are located on a twofold rotation axis which passes through the central C atom of the dication and the water O atom. The carboxylate group of the anion appears to be delocalized on the basis of the C—O bond lengths. In the crystal, the components are linked by intermolecular N—H⋯O, N—H⋯N and O—H⋯O hydrogen bonds. International Union of Crystallography 2011-08-27 /pmc/articles/PMC3200944/ /pubmed/22065654 http://dx.doi.org/10.1107/S1600536811033502 Text en © Brito et al. 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 Brito, Iván Vallejos, Javier Cárdenas, Alejandro López-Rodríguez, Matías Propane-1,3-diaminium bis(pyridine-4-carboxylate) monohydrate |
title | Propane-1,3-diaminium bis(pyridine-4-carboxylate) monohydrate |
title_full | Propane-1,3-diaminium bis(pyridine-4-carboxylate) monohydrate |
title_fullStr | Propane-1,3-diaminium bis(pyridine-4-carboxylate) monohydrate |
title_full_unstemmed | Propane-1,3-diaminium bis(pyridine-4-carboxylate) monohydrate |
title_short | Propane-1,3-diaminium bis(pyridine-4-carboxylate) monohydrate |
title_sort | propane-1,3-diaminium bis(pyridine-4-carboxylate) monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200944/ https://www.ncbi.nlm.nih.gov/pubmed/22065654 http://dx.doi.org/10.1107/S1600536811033502 |
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