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Bis[2-(2,4-dinitro-benz-yl)pyridinium] biphenyl-4,4'-disulfonate trihydrate.

ABSTRACT: 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 inter-acting head-to-head through centrosymmetric cyclic bis-(water)-bridged hydrogen-bonding associations [graph set R(4) (4)(11)], forming chains. The 2-(2,4-dinitro-benz-yl)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 ?-? aromatic ring inter-actions [minimum ring centroid separation = 3.8441?(13)?Å].

SUBMITTER: Smith G

PROVIDER: S-EPMC2979160 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

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Bis[2-(2,4-dinitro-benz-yl)pyridinium] biphenyl-4,4'-disulfonate trihydrate.

Smith Graham G Wermuth Urs D UD Young David J DJ

Acta crystallographica. Section E, Structure reports online 20100428 Pt 5

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 inter-acting head-to-head through centrosymmetric cyclic bis-(water)-bridged hydrogen-bonding associations [graph set R(4) (4)(11)], forming chains. The 2-(2,4-dinitro-benz-yl)pyridinium cations are linked to these chains through pyridinium-water N-H⋯O hydrogen bonds and a two ...[more]

PMID: 21579224

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