Synthesis, crystal structure, spectral characterization and antimicrobial activity of Zn(II) and Ni(II) compounds with the Schiff base ligand 3, 5-dichlorosalicylaldehyde o-phenylenediamine

•Two new compounds Zn(L1) 1 and Ni(L1)(H2O) 2 with 2D supermolecule layer structure were synthesized using the slow evaporation method at room temperature.•Compounds 1 showed significant antibacterial activity for MRSA.•Molecular docking of protein and DNA for compounds 1-2 were investigated.•The potential antibacterial mechanism of compounds 1-2 was proposed via combining with theoretical calculation and experimental results.