Antiparallel π···π and C−H···H−C contacts in a novel Zn(II) coordination solid involving π-hole tetrel bonding interactions: A combined experimental and theoretical study, Hirshfeld surface analysis, molecular docking and potential drug property

•A novel Zn(II) complex involving chelating bidentate benzoato ligand is synthesized and characterized by single X-ray diffraction, electronic and vibrational spectroscopy.•The crystal structure is stabilized by various supramolecular contacts including the π-hole tetrel bonding interactions.•Important non-covalent interactions are studied by Hirshfeld surface analysis and different theoretical tools.•Molecular docking study shows that the complex is effective in the inhibition of some selected enzymes.•ADMET calculations support its candidature as a drug candidate.