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Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrate
In the structure of the title salt, 2C(12)H(10)N(3)O(4) (+)·C(12)H(8)O(6)S(2) (2−)·3H(2)O, determined at 173 K, the biphenyl-4,4′-disulfonate dianions lie across crystallographic inversion centres with the sulfonate groups interacting head-to-head through centrosymmetric cyclic bis(water)-bridged...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979160/ https://www.ncbi.nlm.nih.gov/pubmed/21579224 http://dx.doi.org/10.1107/S1600536810014819 |
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author | Smith, Graham Wermuth, Urs D. Young, David J. |
author_facet | Smith, Graham Wermuth, Urs D. Young, David J. |
author_sort | Smith, Graham |
collection | PubMed |
description | In the structure of the title salt, 2C(12)H(10)N(3)O(4) (+)·C(12)H(8)O(6)S(2) (2−)·3H(2)O, determined at 173 K, the biphenyl-4,4′-disulfonate dianions lie across crystallographic inversion centres with the sulfonate groups interacting head-to-head through centrosymmetric cyclic bis(water)-bridged hydrogen-bonding associations [graph set R (4) (4)(11)], forming chains. The 2-(2,4-dinitrobenzyl)pyridinium cations are linked to these chains through pyridinium–water N—H⋯O hydrogen bonds and a two-dimensional network is formed through water bridges between sulfonate and 2-nitro O atoms, while the structure also has weak cation–anion π–π aromatic ring interactions [minimum ring centroid separation = 3.8441 (13) Å]. |
format | Text |
id | pubmed-2979160 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29791602010-12-30 Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrate Smith, Graham Wermuth, Urs D. Young, David J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the structure of the title salt, 2C(12)H(10)N(3)O(4) (+)·C(12)H(8)O(6)S(2) (2−)·3H(2)O, determined at 173 K, the biphenyl-4,4′-disulfonate dianions lie across crystallographic inversion centres with the sulfonate groups interacting head-to-head through centrosymmetric cyclic bis(water)-bridged hydrogen-bonding associations [graph set R (4) (4)(11)], forming chains. The 2-(2,4-dinitrobenzyl)pyridinium cations are linked to these chains through pyridinium–water N—H⋯O hydrogen bonds and a two-dimensional network is formed through water bridges between sulfonate and 2-nitro O atoms, while the structure also has weak cation–anion π–π aromatic ring interactions [minimum ring centroid separation = 3.8441 (13) Å]. International Union of Crystallography 2010-04-28 /pmc/articles/PMC2979160/ /pubmed/21579224 http://dx.doi.org/10.1107/S1600536810014819 Text en © Smith et al. 2010 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 Smith, Graham Wermuth, Urs D. Young, David J. Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrate |
title | Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrate |
title_full | Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrate |
title_fullStr | Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrate |
title_full_unstemmed | Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrate |
title_short | Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrate |
title_sort | bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4′-disulfonate trihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979160/ https://www.ncbi.nlm.nih.gov/pubmed/21579224 http://dx.doi.org/10.1107/S1600536810014819 |
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