Crystal structures of mixed-ligand complexes [CoPhen{(i-C4H9)2PS2}2], [Co(2,2′-Bipy){(i-C4H9)2PS2}2] and the development of dimer assemblies in them

Abstract

X-ray diffraction data have been used to determine crystal structures of coordination compounds [CoPhen{ (i-C4H9)2PS2}2] (I) and [Co(2,2′-Bipy){ (i-C4H9)2PS2}2] (II) (X8-APEX diffractometer, MoK α∔ -radiation, 3083 F hkl , R = 0.0647 for I and 5381 F hkl , R = 0.0597 for II). I is triclinic, a = 11.244(1) A, b = 14.892(2) A, c = 21.419(4) A, α = 71.867(4)°, β = 81.553(4)°, γ = 76.777(4)°, V = 3306,9(8) A3; Z = 4, ρcalc = 1.321 g/cm3, space group \(P\bar 1\); II is monoclinic, a = 14.693(2) A; b = 20.868(3) A, c = 11.417(1) A; β = 106.46(5)°; V = 3357.1(7) A3, Z = 4, ρcalc = 1.254 g/cm3, space group P21/c. The structures are built from discrete mononuclear molecules. Coordination polyhedra of Co atoms are distorted octahedra formed by four S atoms of two bi-dentate chelating ligands (i-C4H9)2PS 2 − and two N atoms of two bi-dentate chelating Phen or 2,2′-Bipy molecules. The interaction of the molecules in the structures of I and II has been analyzed. It has been found that the molecules of I and II form dimer ensembles owing to π-π-interactions of Phen or 2,2′-Bipy.