Mixed-ligand complexes of zinc(II) with 1,1-dicyanoethylene-2,2-dithiolate and N-donor ligands: A combined experimental and theoretical study

Two different Zn(II) coordination complexes of formule [Zn2(dap)2(i-MNT)2] (1) and {[Zn(dap)(i-MNT)(4-MePy)]·2H2O}n (2) have been synthesized and characterized by elemental analysis, spectroscopic and XRD studies. DFT calculations were performed to rationalize the influence of the different noncovalent interactions in the crystal packing. Compound 2 exhibits moderate to appreciable antifungal activity.287