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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...

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Autores principales: Brito, Iván, Vallejos, Javier, Cárdenas, Alejandro, López-Rodríguez, Matías
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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