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4-Aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42: a redetermination from the original data
The title structure, 4-aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42, 0.58(C(6)H(7)N·C(7)H(7)NO(2))·0.42(C(6)H(8)N(+)·C(7)H(6)NO(2) (−)), has been redetermined from the data published by Kumar et al. (2015 ▸). Acta Cryst. E71, o125-o126. The improvement of the p...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2017
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730305/ https://www.ncbi.nlm.nih.gov/pubmed/29250368 http://dx.doi.org/10.1107/S2056989017013226 |
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author | Fábry, Jan |
author_facet | Fábry, Jan |
author_sort | Fábry, Jan |
collection | PubMed |
description | The title structure, 4-aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42, 0.58(C(6)H(7)N·C(7)H(7)NO(2))·0.42(C(6)H(8)N(+)·C(7)H(6)NO(2) (−)), has been redetermined from the data published by Kumar et al. (2015 ▸). Acta Cryst. E71, o125-o126. The improvement of the present redetermination consists in the introduction of disorder of the methyl group over two positions as well as in the correction of the positional parameters of the hydrogen atoms that are involved in the O—H⋯N or N—H⋯O hydrogen bonds. After the correction, the hydroxyl hydrogen atom turned out to be disordered over two positions about the centre of the O⋯N bond, which is relatively long [2.642 (2) Å], while the H atoms of the primary amine group account more realistically for the hydrogen-bond pattern after the removal of the positional constraints. All the O—H⋯N or N—H⋯O hydrogen bonds which are present in the title structure are of moderate strength. |
format | Online Article Text |
id | pubmed-5730305 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-57303052017-12-15 4-Aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42: a redetermination from the original data Fábry, Jan Acta Crystallogr E Crystallogr Commun Research Communications The title structure, 4-aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42, 0.58(C(6)H(7)N·C(7)H(7)NO(2))·0.42(C(6)H(8)N(+)·C(7)H(6)NO(2) (−)), has been redetermined from the data published by Kumar et al. (2015 ▸). Acta Cryst. E71, o125-o126. The improvement of the present redetermination consists in the introduction of disorder of the methyl group over two positions as well as in the correction of the positional parameters of the hydrogen atoms that are involved in the O—H⋯N or N—H⋯O hydrogen bonds. After the correction, the hydroxyl hydrogen atom turned out to be disordered over two positions about the centre of the O⋯N bond, which is relatively long [2.642 (2) Å], while the H atoms of the primary amine group account more realistically for the hydrogen-bond pattern after the removal of the positional constraints. All the O—H⋯N or N—H⋯O hydrogen bonds which are present in the title structure are of moderate strength. International Union of Crystallography 2017-09-19 /pmc/articles/PMC5730305/ /pubmed/29250368 http://dx.doi.org/10.1107/S2056989017013226 Text en © Jan Fábry 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Fábry, Jan 4-Aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42: a redetermination from the original data |
title | 4-Aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42: a redetermination from the original data |
title_full | 4-Aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42: a redetermination from the original data |
title_fullStr | 4-Aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42: a redetermination from the original data |
title_full_unstemmed | 4-Aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42: a redetermination from the original data |
title_short | 4-Aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42: a redetermination from the original data |
title_sort | 4-aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42: a redetermination from the original data |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730305/ https://www.ncbi.nlm.nih.gov/pubmed/29250368 http://dx.doi.org/10.1107/S2056989017013226 |
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