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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...

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Detalles Bibliográficos
Autores principales: Arman, Hadi D., Miller, Tyler, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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
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