Isomorphous dinuclear copper(I) complexes bridged by 4-methyl-1H-1,2,4-triazole-5-thiol-ate ligands: chloride and bromide analogues.

The title isomorphous copper(I) coordination complexes, bis-(μ-4-methyl-1H-1,2,4-triazole-5-thiol-ato)bis-[chlorido-(tri-phenyl-phosphane)copper(II)], [Cu2(C3H5N3S)2Cl2(C18H15P)2], and bis-(μ-4-methyl-1H-1,2,4-triazole-5-thiol-ato)bis-[bromido-(tri-phenyl-phosphane)copper(II)], [Cu2(C3H5N3S)2Br2(C18H15P)2], were synthesized from copper(I) halide salts and a mixed-ligand system containing Hmptrz and PPh3 in aceto-nitrile (Hmptrz = 4-methyl-1H-1,2,4-triazole-5-thione and PPh3 = tri-phenyl-phosphine). The asymmetric unit comprises one-half of the dinuclear complex, with each copper(I) center exhibiting a distorted tetra-hedral coordination geometry defined by one halide ion, one phospho-rus atom from PPh3, and two μ-S bridging from Hmptrz bridging mol-ecules. The two μ-S bridges [Cu-S-Cu ≃ 70.2°] connect pairs of copper(I) atoms to generate a lozenge-shaped, centrosymmetric Cu2S2 core. In the extended structure C-H⋯X (X = Cl or Br) hydrogen bonds link the dimers into a three-dimensional supra-molecular architecture. Hirshfeld surface and two-dimensional fingerprint plot analyses were also carried out to investigate and qu-antify the inter-molecular contacts governing the crystal packing.