2,3-Diaminopyridinium sorbate–sorbic acid (1/1)
In the title molecular salt–adduct, C(5)H(8)N(3) (+)·C(6)H(7)O(2) (−)·C(6)H(8)O(2), the 2,3-diaminopyridinium cation is essentially planar, with a maximum deviation of 0.013 (2) Å, and is protanated at its pyridine N atom. The sorbate anion and sorbic acid molecules exist in extended conformation...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254524/ https://www.ncbi.nlm.nih.gov/pubmed/22259470 http://dx.doi.org/10.1107/S1600536811053025 |
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author | Hemamalini, Madhukar Goh, Jia Hao Fun, Hoong-Kun |
author_facet | Hemamalini, Madhukar Goh, Jia Hao Fun, Hoong-Kun |
author_sort | Hemamalini, Madhukar |
collection | PubMed |
description | In the title molecular salt–adduct, C(5)H(8)N(3) (+)·C(6)H(7)O(2) (−)·C(6)H(8)O(2), the 2,3-diaminopyridinium cation is essentially planar, with a maximum deviation of 0.013 (2) Å, and is protanated at its pyridine N atom. The sorbate anion and sorbic acid molecules exist in extended conformations. In the crystal, the protonated N atom and one of the two amino-group H atoms are hydrogen bonded to the sorbate anion through a pair of N—H⋯O hydrogen bonds, forming an R (1) (2)(6) ring motif. The carboxyl groups of the sorbic acid molecules and the carboxylate groups of the sorbate anions are connected via O—H⋯O hydrogen bonds. Furthermore, the ion pairs and neutral molecules are connected via intermolecular N—H⋯O hydrogen bonds, forming sheets lying parallel to (100). |
format | Online Article Text |
id | pubmed-3254524 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32545242012-01-18 2,3-Diaminopyridinium sorbate–sorbic acid (1/1) Hemamalini, Madhukar Goh, Jia Hao Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecular salt–adduct, C(5)H(8)N(3) (+)·C(6)H(7)O(2) (−)·C(6)H(8)O(2), the 2,3-diaminopyridinium cation is essentially planar, with a maximum deviation of 0.013 (2) Å, and is protanated at its pyridine N atom. The sorbate anion and sorbic acid molecules exist in extended conformations. In the crystal, the protonated N atom and one of the two amino-group H atoms are hydrogen bonded to the sorbate anion through a pair of N—H⋯O hydrogen bonds, forming an R (1) (2)(6) ring motif. The carboxyl groups of the sorbic acid molecules and the carboxylate groups of the sorbate anions are connected via O—H⋯O hydrogen bonds. Furthermore, the ion pairs and neutral molecules are connected via intermolecular N—H⋯O hydrogen bonds, forming sheets lying parallel to (100). International Union of Crystallography 2011-12-21 /pmc/articles/PMC3254524/ /pubmed/22259470 http://dx.doi.org/10.1107/S1600536811053025 Text en © Hemamalini 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 Hemamalini, Madhukar Goh, Jia Hao Fun, Hoong-Kun 2,3-Diaminopyridinium sorbate–sorbic acid (1/1) |
title | 2,3-Diaminopyridinium sorbate–sorbic acid (1/1) |
title_full | 2,3-Diaminopyridinium sorbate–sorbic acid (1/1) |
title_fullStr | 2,3-Diaminopyridinium sorbate–sorbic acid (1/1) |
title_full_unstemmed | 2,3-Diaminopyridinium sorbate–sorbic acid (1/1) |
title_short | 2,3-Diaminopyridinium sorbate–sorbic acid (1/1) |
title_sort | 2,3-diaminopyridinium sorbate–sorbic acid (1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254524/ https://www.ncbi.nlm.nih.gov/pubmed/22259470 http://dx.doi.org/10.1107/S1600536811053025 |
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