Crystal structure and evaluating C-H•••π (aryl/chelate) interactions in bis (2-{[(2-hydroxyethyl)imino]-methyl}-4,6-diiodophenolato)-palladium(II) Schiff base complex derived from (E)-2-(((2-hydroxyethyl)imino)methyl)-4, 6-diiodophenol

A novel Pd-II complex [bis(2-{[(2-hydroxyethyl)imino]methyl}-4,6-diiodophenolato)-Palladium(II), (Pd(L-1))] has been synthesized using a N,O-donor Schiff base ligand, (E)-2-(((2-hydroxyethyl)imino)methyl)-4,6-diiodophenol (L1). The structure of Pd(L1) has been confirmed by single crystal X-ray diffraction analysis. Pd(L1) shows unusual C-H center dot center dot center dot pi (chelate) interaction beside with the usual C-H center dot center dot center dot pi (aryl) interactions in the solid-state. A comprehensive analysis of Hirshfeld surfaces and fingerprint plots are useful to measure the interactions within the crystal structure. The C-H center dot center dot center dot pi (chelate/aryl) interactions and the binding energies of noncovalent interactions observed in the crystal structure were analyzed using theoretical DFT calculations. Besides, the interactions have been exemplified by using both Bader's theory of AIM analysis and the noncovalent interaction plot. The topological analysis of the electron density was carried out to analyze the bonding nature in the complex.