Bis{3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1H-1,2,4-triazol-4-ium} hexachloridobismuthate(III) nitrate dihydrate

Abstract

The asymmetric unit of the title hydrated salt, (C10H18N8S2)2[BiCl6]NO3·2H2O, contains two independent 3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1H-1,2,4-triazol-4-ium cations, one hexachloridobismuthate anion, one nitrate anion and two solvent water molecules. The dihedral angles between the imidazole and triazole rings in the cations are 44.7 (3) and 89.4 (3)°. The BiIII ion is coordinated by six chloride ligands in a slightly distorted octahedral geometry. In each cation, an intramolecular N—H...S hydrogen bond is observed. In the crystal, N—H...Cl, N—H...S, N—H...O, O—H...Cl, O—H...S and O—H...O hydrogen bonds connect the components into a three-dimensional network. In addtion, π–π stacking interactions between inversion-related triazole rings are observed, with a centroid–centroid distance of 3.322 (3) Å