Synthesis, X-ray, Hirshfeld, and AIM Studies on Zn(II) and Cd(II) Complexes with Pyridine Ligands

The synthesis and crystal structures of three heteroleptic complexes Zn(II) Cd(II) with pyridine ligands (ethyl nicotinate (EtNic), N,N-diethylnicotinamide (DiEtNA), 2-amino-5-picoline (2Ampic) are presented. complex [Zn(EtNic)2Cl2] (1) showed a distorted tetrahedral coordination geometry two EtNic ligand units chloride ions as monodentate ligands. Complexes [Zn(DiEtNA)(H2O)4(SO4)]·H2O (2) [Cd(OAc)2(2Ampic)2] (3) had hexa-coordinated centers. In the former, was coordinated different ligands, which were DiEtNA, H2O, SO42−. 3, ion bidentate acetate 2Ampic units. supramolecular elucidated using Hirshfeld analysis. 1, most important interactions that governed molecular packing O···H (15.5–15.6%), Cl···H (13.6–13.8%), Cl···C (6.3%), C···H (10.3–10.6%) contacts. For 2 H···H, O···H, contacts dominated. Their percentages 50.2%, 41.2%, 7.1%, respectively, for 57.1%, 19.6%, 15.2%, 3. Only in weak π-π stacking between stacked pyridines found. natural charges calculated DFT method to be 0.8775, 1.0559, 1.2193 1–3, respectively. A predominant closed-shell character Zn–Cl, Zn–N, Zn–O, Cd–O, Cd–N bonds also concluded from an atoms molecules (AIM) study.