Lasagna-like supramolecular polymers derived from the PdII osazone complexes via C(sp2)–H⋯Hal hydrogen bonding

Abstract

Preparation of the novel PdII osazone complex and its self-assembly into lasagna-like arrays in the solid state via rare C(sp2)–H⋯Hal hydrogen bonding, as well as N–H⋯Ph weak contact is reported. The rare PdII osazone complex was characterized using elemental analyses (C, H, N), ESI-MS, IR, 1H and 13CNMR techniques and X-ray diffraction analysis. The intermolecular non-covalent interactions C–H⋯Cl and N–H⋯Ph responsible for the formation of 1D supramolecular polymeric chains in the crystal were detected and studied by DFT calculations and topological analysis of the electron density distribution within the framework of Bader’s theory (QTAIM method). Estimated strength of these non-covalent interactions is 1.3–1.6 kcal/mol.