Bis(2,6-diamino­pyridinium) bis­(hydrogen oxalate) monohydrate

The asymmetric unit of the title compound, 2C(5)H(8)N(3) (+)·2C(2)HO(4) (−)·H(2)O, contains two crystallographically independent 2,6-diamino­pyridinium cations, a pair of hydrogen oxalate anions and a water mol­ecule. Both 2,6-diamino­pyridinium cations are planar, with maximum deviations of 0.011 (...

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Autores principales: Al-Dajani, Mohammad T. M., Talaat, Jamal, Shamsuddin, Shaharum, Hemamalini, Madhukar, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3052081/
https://www.ncbi.nlm.nih.gov/pubmed/21522352
http://dx.doi.org/10.1107/S1600536811004119
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author Al-Dajani, Mohammad T. M.
Talaat, Jamal
Shamsuddin, Shaharum
Hemamalini, Madhukar
Fun, Hoong-Kun
author_facet Al-Dajani, Mohammad T. M.
Talaat, Jamal
Shamsuddin, Shaharum
Hemamalini, Madhukar
Fun, Hoong-Kun
author_sort Al-Dajani, Mohammad T. M.
collection PubMed
description The asymmetric unit of the title compound, 2C(5)H(8)N(3) (+)·2C(2)HO(4) (−)·H(2)O, contains two crystallographically independent 2,6-diamino­pyridinium cations, a pair of hydrogen oxalate anions and a water mol­ecule. Both 2,6-diamino­pyridinium cations are planar, with maximum deviations of 0.011 (2) and 0.015 (1) Å, and are protonated at the pyridine N atoms. The hydrogen oxalate anions adopt twisted conformations and the dihedral angles between the planes of their carboxyl groups are 31.01 (11) and 63.48 (11)°. In the crystal, the cations, anions and water mol­ecules are linked via O—H⋯O and N—H⋯O hydrogen bonds, forming a three-dimensional network.
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spelling pubmed-30520812011-04-26 Bis(2,6-diamino­pyridinium) bis­(hydrogen oxalate) monohydrate Al-Dajani, Mohammad T. M. Talaat, Jamal Shamsuddin, Shaharum Hemamalini, Madhukar Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, 2C(5)H(8)N(3) (+)·2C(2)HO(4) (−)·H(2)O, contains two crystallographically independent 2,6-diamino­pyridinium cations, a pair of hydrogen oxalate anions and a water mol­ecule. Both 2,6-diamino­pyridinium cations are planar, with maximum deviations of 0.011 (2) and 0.015 (1) Å, and are protonated at the pyridine N atoms. The hydrogen oxalate anions adopt twisted conformations and the dihedral angles between the planes of their carboxyl groups are 31.01 (11) and 63.48 (11)°. In the crystal, the cations, anions and water mol­ecules are linked via O—H⋯O and N—H⋯O hydrogen bonds, forming a three-dimensional network. International Union of Crystallography 2011-02-09 /pmc/articles/PMC3052081/ /pubmed/21522352 http://dx.doi.org/10.1107/S1600536811004119 Text en © Al-Dajani 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
Al-Dajani, Mohammad T. M.
Talaat, Jamal
Shamsuddin, Shaharum
Hemamalini, Madhukar
Fun, Hoong-Kun
Bis(2,6-diamino­pyridinium) bis­(hydrogen oxalate) monohydrate
title Bis(2,6-diamino­pyridinium) bis­(hydrogen oxalate) monohydrate
title_full Bis(2,6-diamino­pyridinium) bis­(hydrogen oxalate) monohydrate
title_fullStr Bis(2,6-diamino­pyridinium) bis­(hydrogen oxalate) monohydrate
title_full_unstemmed Bis(2,6-diamino­pyridinium) bis­(hydrogen oxalate) monohydrate
title_short Bis(2,6-diamino­pyridinium) bis­(hydrogen oxalate) monohydrate
title_sort bis(2,6-diamino­pyridinium) bis­(hydrogen oxalate) monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3052081/
https://www.ncbi.nlm.nih.gov/pubmed/21522352
http://dx.doi.org/10.1107/S1600536811004119
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