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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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Detalles Bibliográficos
Autores principales: Smith, Graham, Wermuth, Urs D., Young, David J.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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].
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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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