Two new complexes, [Cu(dimpyr)2(H2O)2](NO3)2.2H2O (1) and (Hamdimpy)2[CoCl4].H2O (2), with the monodentate ligand 2-amino-6-methylpyrimidin-4-(1H)-one (dimpyr) and the countercation 4-amino-2,6-dimetylpyrimidium (Hamdimpy), respectively, were prepared and characterized by single crystal X-ray diffraction, elemental analysis and IR spectroscopy. In (1), the Cu(II) cation is tetracoordinated, in a square plan fashion, by two nitrogen atoms from the pyrimidine ring of the organic ligand and two oxygen atoms of two coordinated water molecules. In the atomic arrangement, the CuO2N2 square planes are interconnected via the formation of O-H…O hydrogen bonds involving both coordinated and free water molecules and NO3− nitrate anions to form inorganic layers parallel to the (a, b) plane at z = (2n + 1)/4. In (2), the central atom Co(II) is four-coordinated in a distorted tetrahedral fashion by four Cl− ions. The [CoCl4]2− tetrahedra are arranged parallel to the plane (1¯10) at x = (2n + 1)/2 and the organic cations are grafted between them by establishing with them hydrogen bonds of CH…Cl and NH…Cl types. The vibrational absorption bands were identified by infrared and Raman spectroscopy. Intermolecular interactions were investigated via Hirshfeld surfaces and electronic properties such as HOMO and LUMO energies were derived. The two compounds were characterized by thermal analysis to determine their thermal behavior with respect to temperature.

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The chemical preparation, crystal structure and spectroscopic characterization of two new Cu(II) complexes [Cu(C5H7N3O)4](CH3COO)2, [Cu(ampymo)4](O2CMe), (1) and [Cu(C5H7N3O)2(H2O)3](CH3COO)2, [Cu(ampymo)2(H2O)3](O2CMe)2, (2) with the monodentate ligand 2-amino-6-methylpyrimidin-4-(1H)-one, (ampymo), are reported. In (1), the Cu(II) atom is four-coordinated, in a square planar fashion, by nitrogen atoms of four ampymo ligands. In (2), it is five-coordinated in a square pyramidal fashion by two pyrimidine nitrogen atoms and three water oxygen atoms. The crystal structure of (1) is stabilized by N-H•••O hydrogen bonds with pillars of the cationic complexes alternating with channels occupied by the acetate anions. In the atomic arrangement of (2), the complex cations are located parallel to the (a, b) plane between which the acetate anions intercalate by establishing hydrogen bonds with these cations to form a tridimensional network. The vibrational absorption bands were identified by infrared spectroscopy. Intermolecular interactions were investigated via Hirshfeld surfaces and electronic properties such as HOMO and LUMO energies were derived.

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