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4-[2-(Pyridin-1-ium-4-yl)ethyl]pyridin-1-ium bis(2,6-dinitrobenzoate)
The asymmetric unit of the title salt, C(12)H(14)N(2) (2+)·2C(7)H(3)N(2)O(6) (−), comprises half a 4-[2-(pyridin-1-ium-4-yl)ethyl]pyridin-1-ium dication, being disposed about a centre of inversion, and a 2,6-dinitrobenzoate anion, in a general position. In the anion, the carboxylate group is inc...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884282/ https://www.ncbi.nlm.nih.gov/pubmed/24454058 http://dx.doi.org/10.1107/S1600536813026810 |
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author | Arman, Hadi D. Miller, Tyler Tiekink, Edward R. T. |
author_facet | Arman, Hadi D. Miller, Tyler Tiekink, Edward R. T. |
author_sort | Arman, Hadi D. |
collection | PubMed |
description | The asymmetric unit of the title salt, C(12)H(14)N(2) (2+)·2C(7)H(3)N(2)O(6) (−), comprises half a 4-[2-(pyridin-1-ium-4-yl)ethyl]pyridin-1-ium dication, being disposed about a centre of inversion, and a 2,6-dinitrobenzoate anion, in a general position. In the anion, the carboxylate group is inclined to the benzene ring [dihedral angle = 85.45 (9)°], whereas near-coplanar and twisted arrangements are found for the nitro groups [O—N—C—C torsion angles = 179.80 (14) and 20.2 (2)°]. In the crystal, three-component aggregates sustained by charge-assisted N(+)—H⋯O(−) hydrogen bonds are found and these are consolidated into a three-dimensional architecture by C—H⋯O and π–π [inter-centroid distances = 3.6796 (14) and 3.7064 (14) Å] interactions. |
format | Online Article Text |
id | pubmed-3884282 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-38842822014-01-17 4-[2-(Pyridin-1-ium-4-yl)ethyl]pyridin-1-ium bis(2,6-dinitrobenzoate) Arman, Hadi D. Miller, Tyler Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title salt, C(12)H(14)N(2) (2+)·2C(7)H(3)N(2)O(6) (−), comprises half a 4-[2-(pyridin-1-ium-4-yl)ethyl]pyridin-1-ium dication, being disposed about a centre of inversion, and a 2,6-dinitrobenzoate anion, in a general position. In the anion, the carboxylate group is inclined to the benzene ring [dihedral angle = 85.45 (9)°], whereas near-coplanar and twisted arrangements are found for the nitro groups [O—N—C—C torsion angles = 179.80 (14) and 20.2 (2)°]. In the crystal, three-component aggregates sustained by charge-assisted N(+)—H⋯O(−) hydrogen bonds are found and these are consolidated into a three-dimensional architecture by C—H⋯O and π–π [inter-centroid distances = 3.6796 (14) and 3.7064 (14) Å] interactions. International Union of Crystallography 2013-10-02 /pmc/articles/PMC3884282/ /pubmed/24454058 http://dx.doi.org/10.1107/S1600536813026810 Text en © Arman et al. 2013 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 | Organic Papers Arman, Hadi D. Miller, Tyler Tiekink, Edward R. T. 4-[2-(Pyridin-1-ium-4-yl)ethyl]pyridin-1-ium bis(2,6-dinitrobenzoate) |
title | 4-[2-(Pyridin-1-ium-4-yl)ethyl]pyridin-1-ium bis(2,6-dinitrobenzoate) |
title_full | 4-[2-(Pyridin-1-ium-4-yl)ethyl]pyridin-1-ium bis(2,6-dinitrobenzoate) |
title_fullStr | 4-[2-(Pyridin-1-ium-4-yl)ethyl]pyridin-1-ium bis(2,6-dinitrobenzoate) |
title_full_unstemmed | 4-[2-(Pyridin-1-ium-4-yl)ethyl]pyridin-1-ium bis(2,6-dinitrobenzoate) |
title_short | 4-[2-(Pyridin-1-ium-4-yl)ethyl]pyridin-1-ium bis(2,6-dinitrobenzoate) |
title_sort | 4-[2-(pyridin-1-ium-4-yl)ethyl]pyridin-1-ium bis(2,6-dinitrobenzoate) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884282/ https://www.ncbi.nlm.nih.gov/pubmed/24454058 http://dx.doi.org/10.1107/S1600536813026810 |
work_keys_str_mv | AT armanhadid 42pyridin1ium4ylethylpyridin1iumbis26dinitrobenzoate AT millertyler 42pyridin1ium4ylethylpyridin1iumbis26dinitrobenzoate AT tiekinkedwardrt 42pyridin1ium4ylethylpyridin1iumbis26dinitrobenzoate |