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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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. |
format | Online Article Text |
id | pubmed-4257197 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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