Acta Cryst. (2013). E69, o1506-o1507
[ doi:10.1107/S1600536813023490 ]
Abstract: The asymmetric unit of title co-crystal, C14H16N4S22+·2C7H3N2O6-·4C7H4N2O6, comprises a centrosymmetric dipyridinium dication, a 2,6-dinitrobenzoate anion and two independent 2,6-dinitrobenzoic acid molecules. The pyridinium rings are each approximately perpendicular to the central dithioamide unit [dihedral angle = 80.67 (12)°]. The carboxylate/carboxylic acid groups are approximately perpendicular to the benzene ring to which they are attached [dihedral angles = 78.85 (16), 81.46 (19) and 71.28 (15)°]. By contrast, the major twist exhibited by a nitro group is manifested in a dihedral angle of 32.66 (17)°. The most prominent feature of the crystal packing is linear supramolecular chains along [1-10], featuring O-HO(carboxylate) and pyridinium-N-HO hydrogen bonds. These are consolidated into a three-dimensional architecture by thioamide-nitro N-HO, C-HO and - [inter-centroid distance = 3.524 (2) Å] interactions. One of the nitro O atoms was refined over two sites; the major site was 0.65 (7) occupied.
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