Synthesis, Crystal Structure, Hirshfeld Surface Analysis and DFT Calculations of Two New Cu(II) and Cd(II) Complexes with the 4-Amino-6-methoxypyrimidine Ligand

Two new mononuclear complexes, [Cu2Cl1.23(NO3)0.77(Ampy)4(H2O)4](NO3)2·4H2O (I) and [CdI2(Ampy)2] (II) (Ampy = 4-amino-6-methoxypyrimidine) have been synthesized characterized by single crystal X-ray diffraction studies (CCDC nos. 2023331 (I), (II)) at 295 K for 100 (II). The structure of the Cu(II) complex shows that central atom is five-coordinated with a distorted square pyramidal geometry. In compound Cd(II) cations are tetracoordinated tetrahedral fashion. Intermolecular interactions were investigated Hirshfeld surfaces. Electronic properties such as HOMO LUMO energies derived.