Bis{3-amino-1-carbamo-thioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)meth-yl]sulfan-yl}eth-yl)amino]-1H-1,2,4-triazol-4-ium} hexa-chloridobismuthate(III) nitrate dihydrate.

ABSTRACT: The asymmetric unit of the title hydrated salt, (C10H18N8S2)2[BiCl6]NO3·2H2O, contains two independent 3-amino-1-carbamo-thioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)meth-yl]sulfan-yl}eth-yl)amino]-1H-1,2,4-triazol-4-ium cations, one hexa-chloridobismuthate anion, one nitrate anion and two solvent water mol-ecules. The dihedral angles between the imidazole and triazole rings in the cations are 44.7?(3) and 89.4?(3)°. The Bi(III) ion is coordinated by six chloride ligands in a slightly distorted octa-hedral geometry. In each cation, an intra-molecular 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, ?-? stacking inter-actions between inversion-related triazole rings are observed, with a centroid-centroid distance of 3.322?(3)?Å

SUBMITTER: Hossain GM 

PROVIDER: S-EPMC3772431 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature