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A zinc(II) complex, tetraaqua-bis[4-( H -tetrazol-5-yl)pyridinato]-zinc(II) dehydrate, has been synthesized  in situ  from isonicotinonitrile and sodium azide utilizing green methods. The complex is characterized by IR, SEM-EDAX, PXRD, and TGA techniques. The octahedron structure with two 4-PTZ ligands and four aqua ligands binding to the zinc metal was confirmed by SCXRD studies. HOMO–LUMO energies were determined from DFT studies. The electrostatic potential is calculated to confirm the intermolecular hydrogen bonding. Photocatalytic activity of the complex was detected by degrading methyl orange, methylene blue, and congo red dyes. The synthesized complex was biologically evaluated for its DNA-cleavage, antioxidant and antibacterial activity, and effective inhibition of bacterial proteins compared with molecular docking studies.

A facile approach of tetraaqua-bis[4-(H-tetrazol-5-yl)pyridinato]-zinc(II) dihydrate with their biological activities