Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)

metal-organic compounds

Acta Cryst. (2013). E69, m402-m403    [ doi:10.1107/S1600536813016449 ]

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

G. M. G. Hossain

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, [pi]-[pi] stacking inter­actions between inversion-related triazole rings are observed, with a centroid-centroid distance of 3.322 (3) Å

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