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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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Autor principal: Fábry, Jan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
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.
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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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