Pyridinium 3-nitro­benzoate–3-nitro­benzoic acid (1/1)

The crystal structure of the product of the neutralization reaction between 3-nitro­benzoic acid and pyridine is reported. The entities that crystallized are a pyridinium cation, a 3-nitrobenzoate anion and a 3-nitrobenzoic acid molecule in a 1:1:1 molar ratio, C(5)H(6)N(+)·C(7)H(4)NO(4) (−)·C(7)H(5...

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Detalles Bibliográficos
Autores principales: Howarth, Alexis, Barbosa, Tony J., Zeller, Matthias, Hillesheim, Patrick C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462344/
https://www.ncbi.nlm.nih.gov/pubmed/36337319
http://dx.doi.org/10.1107/S2414314621005812
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author Howarth, Alexis
Barbosa, Tony J.
Zeller, Matthias
Hillesheim, Patrick C.
author_facet Howarth, Alexis
Barbosa, Tony J.
Zeller, Matthias
Hillesheim, Patrick C.
author_sort Howarth, Alexis
collection PubMed
description The crystal structure of the product of the neutralization reaction between 3-nitro­benzoic acid and pyridine is reported. The entities that crystallized are a pyridinium cation, a 3-nitrobenzoate anion and a 3-nitrobenzoic acid molecule in a 1:1:1 molar ratio, C(5)H(6)N(+)·C(7)H(4)NO(4) (−)·C(7)H(5)NO(4). Distinct sets of hydrogen bonds link the pyridinium and benzoate ions (N—H⋯O) and the acid and benzoate moieties (O—H⋯O). The hydrogen bonding along with π–π stacking between the acid and benzoate moieties accounts for the long-range ordering of the crystal. [Image: see text]
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spelling pubmed-94623442022-11-04 Pyridinium 3-nitro­benzoate–3-nitro­benzoic acid (1/1) Howarth, Alexis Barbosa, Tony J. Zeller, Matthias Hillesheim, Patrick C. IUCrdata Data Reports The crystal structure of the product of the neutralization reaction between 3-nitro­benzoic acid and pyridine is reported. The entities that crystallized are a pyridinium cation, a 3-nitrobenzoate anion and a 3-nitrobenzoic acid molecule in a 1:1:1 molar ratio, C(5)H(6)N(+)·C(7)H(4)NO(4) (−)·C(7)H(5)NO(4). Distinct sets of hydrogen bonds link the pyridinium and benzoate ions (N—H⋯O) and the acid and benzoate moieties (O—H⋯O). The hydrogen bonding along with π–π stacking between the acid and benzoate moieties accounts for the long-range ordering of the crystal. [Image: see text] International Union of Crystallography 2021-06-15 /pmc/articles/PMC9462344/ /pubmed/36337319 http://dx.doi.org/10.1107/S2414314621005812 Text en © Howarth et al. 2021 https://creativecommons.org/licenses/by/4.0/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.
spellingShingle Data Reports
Howarth, Alexis
Barbosa, Tony J.
Zeller, Matthias
Hillesheim, Patrick C.
Pyridinium 3-nitro­benzoate–3-nitro­benzoic acid (1/1)
title Pyridinium 3-nitro­benzoate–3-nitro­benzoic acid (1/1)
title_full Pyridinium 3-nitro­benzoate–3-nitro­benzoic acid (1/1)
title_fullStr Pyridinium 3-nitro­benzoate–3-nitro­benzoic acid (1/1)
title_full_unstemmed Pyridinium 3-nitro­benzoate–3-nitro­benzoic acid (1/1)
title_short Pyridinium 3-nitro­benzoate–3-nitro­benzoic acid (1/1)
title_sort pyridinium 3-nitro­benzoate–3-nitro­benzoic acid (1/1)
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462344/
https://www.ncbi.nlm.nih.gov/pubmed/36337319
http://dx.doi.org/10.1107/S2414314621005812
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