Molecular Packing in the Crystal Structures of Mixed-Ligand Complexes [ZnPhen{(i-C4H9)2PS2}2] and [Zn(2,2′-Bipy){(i-C4H9)2PS2}2]

Volatile mixed-ligand complexes of Zn(i-Bu2PS2)2 with Phen and 2,2′-Bipy have been synthesized. The crystal structures of the complexes ZnPhen{(i-C4H9)2PS2}2 and Zn(2,2′-Bipy){(i-C4H9)2PS2}2 were determined by single crystal X-ray diffractometry (CAD-4 diffractometer, MoKα radiation, 2100 Fhkl, R = 0.0423 for the first complex and 2003 Fhkl, R = 0.0486 for the second). The crystals are monoclinic with cell dimensions a = 17.580(4), b = 9.969(2), c = 19.175(4) Å, β = 90.33(3)°, V = 3360(1) Å3, Z = 4, dcalc = 1.313 g/cm3, space group P2/n (for the Phen complex); a = 24.219(5), b = 11.386(2), c = 24.916(5) Å, β = 97.70(3)°, V = 6809(2) Å3, Z = 8, dcalc = 1.249 g/cm3, space group C2/c (for the 2,2′-Bipy complex). The complexes are constructed from discrete monomer molecules. The coordination polyhedra of the Zn atoms are distorted tetrahedra formed by two S atoms of the two monodentate i-Bu2PS2- ligands and two N atoms of the cyclic bidentate Phen or 2,2′-Bipy molecules. Intermolecular interactions and packings in the structures are analyzed.