organic compounds
Open access
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 π–π [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.
organic compounds
Open access
In the title compound, C20H27N5O3, the central piperazine ring adopts a chair conformation, with the N-bound carboxylate and methylene substituents occupying bisectional and equatorial orientations, respectively. A twist is evident between the aromatic rings [dihedral angle = 25.61 (9)°] but an intramolecular O—HN hydrogen bond persists between these. Supramolecular tapes along [1-10] are formed in the crystal packing through N(amino)—HO(hydroxyl) and N(amino)—HN(pyrimidinyl) hydrogen bonds, and these are linked into layers in the ab plane by π–π interactions [inter-centroid distance between pyrimidinyl rings = 3.5919 (9) Å].