Tris(2-chlorobenzyl)(1H-1,2,4-triazole-5-thiolato-κS)tin(IV)–tris(2-chlorobenzyl)(4H-1,2,4-triazole-3-thiolato-κS)tin(IV) (1/1)

Tris(2-chlorobenzyl)tin hydroxide condenses with 3-mercapto-1,2,4-triazole to form the 1:1 cocrystal of the title compound, [Sn(C7H6Cl)3(C2H2N3S)]. The asymmetric unit contains two molecules which differ only in the position of the nitrogen-bound H atom of the triazole ring; one molecule is linked to the other molecule by an N—H⋯N hydrogen bond. In the second molecule, two of the chlorobenzyl units are disordered over two positions in a 0.73 (1):0.27 (1) ratio. The Sn atom in both molecules shows a distorted tetrahedral SnSC3 coordination.

Tris(2-chlorobenzyl)tin hydroxide condenses with 3mercapto-1,2,4-triazole to form the 1:1 cocrystal of the title compound, [Sn(C 7 H 6 Cl) 3 (C 2 H 2 N 3 S)]. The asymmetric unit contains two molecules which differ only in the position of the nitrogen-bound H atom of the triazole ring; one molecule is linked to the other molecule by an N-HÁ Á ÁN hydrogen bond. In the second molecule, two of the chlorobenzyl units are disordered over two positions in a 0.73 (1):0.27 (1) ratio. The Sn atom in both molecules shows a distorted tetrahedral SnSC 3 coordination.

Refinement
Carbon-bound H-atoms were placed in calculated positions (C-H 0.95 to 0.99 Å) and were included in the refinement in the riding model approximation, with U(H) set to 1.2U(C).
For the heterocyclic ring in the first independent molecule, the amino H-atom was placed on the N2 atom as both the N1 and N3 atoms were within 2.8 Å of their symmetry-generated equivalents. The N2 atom forms a hydrogen bond to the N5 atom of the other independent molecule. For the heterocylic ring in the second independent molecule, a hydrogen atom placed on the N4 atom would be too close to the H23 atom of another molecule. Since the N5 atom is already an acceptor site, the N6 atom would then be the protonated atom. The N-H distances were set to 0.86 Å; the temperature factors were tied to those of the parent atoms.
The positioning of the amino H-atoms gives rise to different names for the two molecular species.
For the second molecule, two chlorobenzyl substitutents are disordered; the occupancies of the two could not be separately refined, and were assumed to be identical. The aromatic ring were refined as rigid hexagons of 1.39 Å sides. The tin-carbon distances for each pair of Sn-C bonds were restrained to within 0.01 Å of each other. The carbon methylene -carbon phenylene distances were restrained to 1.50±0.01 Å and the carbon-chlorine distances were restrained to 1.75±0.01 Å. The temperature supplementary materials sup-2 factors of the primed atoms were set to those of the unprimed ones; the anisotropic temperature factors of the disordered carbon atoms were restrained to be nearly isotropic. The disorder refined to a 79:21 ratio.