Crystal structure of 4-(di­methyl­amino)­pyridinium 4-amino­benzoate dihydrate

In the title hydrated mol­ecular salt, C(7)H(11)N(2) (+)·C(7)H(6)NO(2) (−)·2H(2)O, the cation is protonated at the pyridine N atom and the dihedral angle between the benzene ring and the CO(2) (−) group in the anion is 8.5 (2)°. In the crystal, the cation forms an N—H⋯O hydrogen bond to the anion an...

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Autores principales: Thirunavukkarasu, A., Silambarasan, A., Kumar, R. Mohan, Umarani, P. R., Chakkaravarthi, G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331910/
https://www.ncbi.nlm.nih.gov/pubmed/25705488
http://dx.doi.org/10.1107/S2056989014026310
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author Thirunavukkarasu, A.
Silambarasan, A.
Kumar, R. Mohan
Umarani, P. R.
Chakkaravarthi, G.
author_facet Thirunavukkarasu, A.
Silambarasan, A.
Kumar, R. Mohan
Umarani, P. R.
Chakkaravarthi, G.
author_sort Thirunavukkarasu, A.
collection PubMed
description In the title hydrated mol­ecular salt, C(7)H(11)N(2) (+)·C(7)H(6)NO(2) (−)·2H(2)O, the cation is protonated at the pyridine N atom and the dihedral angle between the benzene ring and the CO(2) (−) group in the anion is 8.5 (2)°. In the crystal, the cation forms an N—H⋯O hydrogen bond to the anion and the anion forms two N—H⋯O hydrogen bonds to adjacent water mol­ecules. Both water mol­ecules form two O—H⋯O hydrogen bonds to carboxyl­ate O atoms. In combination, these hydrogen bonds generate a three-dimensional network and two weak C—H⋯π inter­actions are also observed.
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spelling pubmed-43319102015-02-20 Crystal structure of 4-(di­methyl­amino)­pyridinium 4-amino­benzoate dihydrate Thirunavukkarasu, A. Silambarasan, A. Kumar, R. Mohan Umarani, P. R. Chakkaravarthi, G. Acta Crystallogr E Crystallogr Commun Data Reports In the title hydrated mol­ecular salt, C(7)H(11)N(2) (+)·C(7)H(6)NO(2) (−)·2H(2)O, the cation is protonated at the pyridine N atom and the dihedral angle between the benzene ring and the CO(2) (−) group in the anion is 8.5 (2)°. In the crystal, the cation forms an N—H⋯O hydrogen bond to the anion and the anion forms two N—H⋯O hydrogen bonds to adjacent water mol­ecules. Both water mol­ecules form two O—H⋯O hydrogen bonds to carboxyl­ate O atoms. In combination, these hydrogen bonds generate a three-dimensional network and two weak C—H⋯π inter­actions are also observed. International Union of Crystallography 2015-01-01 /pmc/articles/PMC4331910/ /pubmed/25705488 http://dx.doi.org/10.1107/S2056989014026310 Text en © Thirunavukkarasu et al. 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 Data Reports
Thirunavukkarasu, A.
Silambarasan, A.
Kumar, R. Mohan
Umarani, P. R.
Chakkaravarthi, G.
Crystal structure of 4-(di­methyl­amino)­pyridinium 4-amino­benzoate dihydrate
title Crystal structure of 4-(di­methyl­amino)­pyridinium 4-amino­benzoate dihydrate
title_full Crystal structure of 4-(di­methyl­amino)­pyridinium 4-amino­benzoate dihydrate
title_fullStr Crystal structure of 4-(di­methyl­amino)­pyridinium 4-amino­benzoate dihydrate
title_full_unstemmed Crystal structure of 4-(di­methyl­amino)­pyridinium 4-amino­benzoate dihydrate
title_short Crystal structure of 4-(di­methyl­amino)­pyridinium 4-amino­benzoate dihydrate
title_sort crystal structure of 4-(di­methyl­amino)­pyridinium 4-amino­benzoate dihydrate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331910/
https://www.ncbi.nlm.nih.gov/pubmed/25705488
http://dx.doi.org/10.1107/S2056989014026310
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