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Crystal structure of bis[4-(di­methyl­amino)­pyridinium] bis(2-nitro­benzoate) trihydrate

The title salt, 2C(7)H(11)N(2) (+)·2C(7)H(4)NO(4) (−)·3H(2)O, crystallized with two anions and two cations in the asymmetric unit, together with three water mol­ecules. Both 4-di­methyl­amino­pyridinium cations are protonated at their pyridine N atoms with the plane of the N(CH(3))(2) hetero atoms i...

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Autores principales: Sivakumar, N., Muralidharan, S., Chakkaravarthi, G., Velmurugan, D., Anbalagan, G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257197/
https://www.ncbi.nlm.nih.gov/pubmed/25484657
http://dx.doi.org/10.1107/S1600536814020583
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author Sivakumar, N.
Muralidharan, S.
Chakkaravarthi, G.
Velmurugan, D.
Anbalagan, G.
author_facet Sivakumar, N.
Muralidharan, S.
Chakkaravarthi, G.
Velmurugan, D.
Anbalagan, G.
author_sort Sivakumar, N.
collection PubMed
description The title salt, 2C(7)H(11)N(2) (+)·2C(7)H(4)NO(4) (−)·3H(2)O, crystallized with two anions and two cations in the asymmetric unit, together with three water mol­ecules. Both 4-di­methyl­amino­pyridinium cations are protonated at their pyridine N atoms with the plane of the N(CH(3))(2) hetero atoms inclined to the pyridine ring by 4.5 (2) and 1.4 (2)°. In the 2-nitro­benzoate anions, the carboxyl and nitro groups are inclined to their respective benzene rings by 77.1 (3) and 20.0 (3)°, and 75.8 (2) and 20.9 (3)°. In the crystal, the anions are linked via O—H⋯O hydrogen bonds involving the water mol­ecules, forming chains along [100]. The cations are linked to these chains by N—H⋯O hydrogen bonds. The chains are linked via C—H⋯O hydrogen bonds and C—H⋯π and π–π inter­actions [inter-centroid distances range from 3.617 (1) to 3.851 (1) Å], forming a three-dimensional structure.
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spelling pubmed-42571972014-12-05 Crystal structure of bis[4-(di­methyl­amino)­pyridinium] bis(2-nitro­benzoate) trihydrate Sivakumar, N. Muralidharan, S. Chakkaravarthi, G. Velmurugan, D. Anbalagan, G. Acta Crystallogr Sect E Struct Rep Online Research Communications The title salt, 2C(7)H(11)N(2) (+)·2C(7)H(4)NO(4) (−)·3H(2)O, crystallized with two anions and two cations in the asymmetric unit, together with three water mol­ecules. Both 4-di­methyl­amino­pyridinium cations are protonated at their pyridine N atoms with the plane of the N(CH(3))(2) hetero atoms inclined to the pyridine ring by 4.5 (2) and 1.4 (2)°. In the 2-nitro­benzoate anions, the carboxyl and nitro groups are inclined to their respective benzene rings by 77.1 (3) and 20.0 (3)°, and 75.8 (2) and 20.9 (3)°. In the crystal, the anions are linked via O—H⋯O hydrogen bonds involving the water mol­ecules, forming chains along [100]. The cations are linked to these chains by N—H⋯O hydrogen bonds. The chains are linked via C—H⋯O hydrogen bonds and C—H⋯π and π–π inter­actions [inter-centroid distances range from 3.617 (1) to 3.851 (1) Å], forming a three-dimensional structure. International Union of Crystallography 2014-09-20 /pmc/articles/PMC4257197/ /pubmed/25484657 http://dx.doi.org/10.1107/S1600536814020583 Text en © Sivakumar et al. 2014 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
Sivakumar, N.
Muralidharan, S.
Chakkaravarthi, G.
Velmurugan, D.
Anbalagan, G.
Crystal structure of bis[4-(di­methyl­amino)­pyridinium] bis(2-nitro­benzoate) trihydrate
title Crystal structure of bis[4-(di­methyl­amino)­pyridinium] bis(2-nitro­benzoate) trihydrate
title_full Crystal structure of bis[4-(di­methyl­amino)­pyridinium] bis(2-nitro­benzoate) trihydrate
title_fullStr Crystal structure of bis[4-(di­methyl­amino)­pyridinium] bis(2-nitro­benzoate) trihydrate
title_full_unstemmed Crystal structure of bis[4-(di­methyl­amino)­pyridinium] bis(2-nitro­benzoate) trihydrate
title_short Crystal structure of bis[4-(di­methyl­amino)­pyridinium] bis(2-nitro­benzoate) trihydrate
title_sort crystal structure of bis[4-(di­methyl­amino)­pyridinium] bis(2-nitro­benzoate) trihydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257197/
https://www.ncbi.nlm.nih.gov/pubmed/25484657
http://dx.doi.org/10.1107/S1600536814020583
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