Synthesis, characterization and exploration of supramolecular interactions of a Cu(II) based 1D zig-zag coordination polymer: X-ray structure determination and DFT study

•A new Cu(II) based zig-zag one-dimensional coordination polymer (1D CP) has been synthesized.•The CP undergoes extensive hydrogen bonding and π··π stacking interactions resulting a three-dimensional (3D) supramolecular network.•Lattice and coordinated water molecules along with carboxylate oxygens generate an interesting octameric cluster with chair-like hexameric unit.•The CP has the semiconducting properties as depicted from band gap calculation by theoretical as well as experimental methods.