Synthesis, crystal structure, DNA binding and molecular docking studies of zinc(II) carboxylates.

New zinc(II) carboxylate complexes [Zn(3-F-CHCHCOO)] (1), [Zn(3-F-CHCHCOO)(Phen)] (2) and [Zn(3-F-CHCHCOO)(bipy)] (3) were synthesized and characterized by atomic absorption, single crystal structural analysis and IR studies. Complex 1 crystallizes as a coordination polymer constituting a web of μ-η,η carboxylate bridged tetrahedral zinc centers. Complexes 2 and 3 comprise trinuclear zinc centers with two terminal fivefold coordinated slightly distorted square-pyramidal and central sixfold coordinated octahedral zinc centers. The complexes were also assessed for their DNA binding ability by UV/-Vis spectroscopy and their behavior rationalized theoretically by molecular docking studies. A DNA binding study has shown groove binding interactions with the complexes.