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Crystal structure of 4-hydroxypyridin-1-ium 3,5-dicarboxybenzoate
The structure of the title salt, C(5)H(6)NO(+)·C(9)H(5)O(6) (−), (I), shows that 4-hydroxypyridine has abstracted an H atom from benzene-1,3,5-tricarboxylic acid, yielding a pyridinium cation and carboxylate anion. The two ions form an extensive three-dimensional hydrogen-bonded network throug...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518931/ https://www.ncbi.nlm.nih.gov/pubmed/26279886 http://dx.doi.org/10.1107/S2056989015011780 |
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author | Staun, Selena L. Oliver, Allen G. |
author_facet | Staun, Selena L. Oliver, Allen G. |
author_sort | Staun, Selena L. |
collection | PubMed |
description | The structure of the title salt, C(5)H(6)NO(+)·C(9)H(5)O(6) (−), (I), shows that 4-hydroxypyridine has abstracted an H atom from benzene-1,3,5-tricarboxylic acid, yielding a pyridinium cation and carboxylate anion. The two ions form an extensive three-dimensional hydrogen-bonded network throughout the crystal. The hydrogen bonds that comprise the core of the network are considered strong, with O—H⋯O and N—H⋯O donor-to-acceptor distances ranging from 2.533 (2) to 2.700 (2) Å. Packing is further enhanced by π-stacking of the cations and anions with like species [centroid–centroid distance = 3.6206 (13) Å]. |
format | Online Article Text |
id | pubmed-4518931 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45189312015-08-14 Crystal structure of 4-hydroxypyridin-1-ium 3,5-dicarboxybenzoate Staun, Selena L. Oliver, Allen G. Acta Crystallogr E Crystallogr Commun Research Communications The structure of the title salt, C(5)H(6)NO(+)·C(9)H(5)O(6) (−), (I), shows that 4-hydroxypyridine has abstracted an H atom from benzene-1,3,5-tricarboxylic acid, yielding a pyridinium cation and carboxylate anion. The two ions form an extensive three-dimensional hydrogen-bonded network throughout the crystal. The hydrogen bonds that comprise the core of the network are considered strong, with O—H⋯O and N—H⋯O donor-to-acceptor distances ranging from 2.533 (2) to 2.700 (2) Å. Packing is further enhanced by π-stacking of the cations and anions with like species [centroid–centroid distance = 3.6206 (13) Å]. International Union of Crystallography 2015-06-27 /pmc/articles/PMC4518931/ /pubmed/26279886 http://dx.doi.org/10.1107/S2056989015011780 Text en © Staun and Oliver 2015 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 | Research Communications Staun, Selena L. Oliver, Allen G. Crystal structure of 4-hydroxypyridin-1-ium 3,5-dicarboxybenzoate |
title | Crystal structure of 4-hydroxypyridin-1-ium 3,5-dicarboxybenzoate |
title_full | Crystal structure of 4-hydroxypyridin-1-ium 3,5-dicarboxybenzoate |
title_fullStr | Crystal structure of 4-hydroxypyridin-1-ium 3,5-dicarboxybenzoate |
title_full_unstemmed | Crystal structure of 4-hydroxypyridin-1-ium 3,5-dicarboxybenzoate |
title_short | Crystal structure of 4-hydroxypyridin-1-ium 3,5-dicarboxybenzoate |
title_sort | crystal structure of 4-hydroxypyridin-1-ium 3,5-dicarboxybenzoate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518931/ https://www.ncbi.nlm.nih.gov/pubmed/26279886 http://dx.doi.org/10.1107/S2056989015011780 |
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