Crystal and mol-ecular structures of a binuclear mixed ligand complex of silver(I) with thio-cyanate and 1-1,2,4-triazole-5(4)-thione.

The complete mol-ecule of the binuclear title complex, bis-[μ-1-1,2,4-triazole-5(4)-thione-κ :]bis-{(thio-cyanato-κ)[1-1,2,4-triazole-5(4)-thione-κ]silver(I)}, [Ag(SCN)(CHNS)], is generated by crystallographic inversion symmetry. The independent triazole-3-thione ligands employ the exocyclic-S atoms exclusively in coordination. One acts as a terminal S-ligand and the other in a bidentate (μ) bridging mode to provide a link between two Ag centres. Each Ag atom is also coordinated by a terminal S-bound thio-cyanate ligand, resulting in a distorted AgS tetra-hedral coordination geometry. An intra-molecular N-H⋯S(thio-cyanate) hydrogen bond is noted. In the crystal, amine-N-H⋯S(thione), N-H⋯N(triazol-yl) and N-H⋯N(thio-cyanate) hydrogen bonds give rise to a three-dimensional architecture. The packing is consolidated by triazolyl-C-H⋯S(thio-cyanate), triazolyl-C-H⋯N(thiocyanate) and S⋯S [3.2463 (9) Å] inter-actions as well as face-to-face π-π stacking between the independent triazolyl rings [inter-centroid separation = 3.4444 (15) Å]. An analysis of the calculated Hirshfeld surfaces shows the three major contributors are due to N⋯H/H⋯N, S⋯H/H⋯S and C⋯H/H⋯C contacts, at 35.8, 19.4 and 12.7%, respectively; H⋯H contacts contribute only 7.6% to the overall surface.