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Two mono- and dinuclear Ni(II) complexes, [Ni( L 3 ) 2 ]·2H 2 O ( 1 ) ( HL 3 = 1-(2-{[( E )-3-methoxy-2-hydroxybenzylidene]amino}phenyl)ethanone oxime) and [Ni 2 ( L 4 ) 2 (CH 3 COO) 2 ] ( 2 ) ( HL 4 = 1-(2-{[( E )-2-hydroxybenzylidene]amino}phenyl)ethanone oxime), have been synthesized via complexation of Ni(II) acetate tetrahydrate with HL 1 and HL 2 ( HL 1 = 2-(2-hydroxy-3-methoxyphenyl)-4-methyl-1,2-dihydroquinazoline 3-oxide, HL 2 = 2-(2-hydroxyphenyl)-4-methyl-1,2-dihydroquinazoline 3-oxide) originally. HL 1 , HL 2 , and two Ni(II) complexes were characterized by IR, UV–Vis, and fluorescence spectroscopy, as well as by elemental analysis, respectively. The spectroscopic data of two Ni(II) complexes were compared with the ligands HL 1 and HL 2 . The differently geometric features of the obtained complexes 1 and 2 are observed by X-ray crystallography. In the crystal structure, complexes 1 and 2 form an infinite 1-D chain and 2 into 2-D supramolecular frameworks. The electrochemical properties of 1 and 2 were also investigated by cyclic voltammetry. Moreover, thermal property of 1 was also studied. In addition, the antimicrobial activity of HL 1 , HL 2 , and complexes 1 and 2 were also investigated. [ABSTRACT FROM AUTHOR]

Two mononuclear M(II) complexes, [M( L 2 ) 2 ]·CH 3 OH (M = Mn( 1 ) and Zn( 2 ), HL 2 = 1-(2-{[( E )-3,5-dibromo-2-hydroxybenzylidene]amino}phenyl)ethanone oxime), were synthesized via complexation of corresponding M(II) acetate with HL 1 (2-(3,5-dibromo-2-hydroxyphenyl)-4-methyl-1,2-dihydroquinazoline-3-oxide, H is the deprotonatable hydrogen) originally. During the reaction, the C–N bond in the ligand HL 1 is converted into the C N OH group in the HL 2 . The spectral data of both complexes were compared with the ligand HL 1 . Both complexes were determined by single crystal X-ray diffraction and display similar coordination geometry and have a 2:1 ligand-to-metal ratio. In the crystal structure, complexes 1 and 2 form an infinite 1-D chain and 2 into 3-D supramolecular frameworks. The electrochemical property of complex 1 was investigated by cyclic voltammetry. The electronic transitions and spectral features of HL 1 and both complexes were discussed by DFT and TD-DFT calculations. Time dependent DFT calculations have been carried out on the optimised geometry to further understand the electronic transitions in the UV–Vis spectra of the compounds. In addition, the highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), and HOMO–LUMO gap were also calculated. [ABSTRACT FROM AUTHOR]

Graphical abstract Two three-dimensional mononuclear zinc(II) and trinuclear copper(II) complexes, [Zn(L2) 2 ]·2CH 3 OH (1) and [Cu(L2)] 3 ·CH 3 OH (2) (HL2 = 1-(2-{[(E)-3-bromo-5-chloro-2-hydroxybenzylidene]amino}phenyl)ethanone oxime), were synthesized via complexation of metal salts with based ligand HL1 (2-(3-bromo-5-chloro-2-hydroxyphenyl)-4-methyl-1,2-dihydroquinazoline 3-oxide, H is the deprotonatable hydrogen) originally. FT-IR, UV–Vis and fluorescence spectroscopic data of both complexes were compared with the ligand HL1. Both complexes were characterized by X-ray single-crystal diffraction and reveal that 1 has 2:1 whereas 2 has 1:1 ligand-to-metal ratio. In the crystal structures, both complexes form an infinite 1-D chain-like and 2-D, 3-D supramolecular frameworks. Moreover, antimicrobial activity of 2 was also studied. Density functional theory (DFT) calculations were carried out to ascertain the optimum geometry structure of two complexes, is devoted to the analysis of the interesting supramolecular assemblies in the solid state of the structures. In addition, the noncovalent interactions among complexes have been also analyzed using Hirshfeld surface analysis. Abstract Two three-dimensional mononuclear zinc(II) and trinuclear copper(II) complexes, [Zn(L2) 2 ]·2CH 3 OH (1) and [Cu(L2)] 3 ·CH 3 OH (2) (HL2 = 1-(2-{[(E)-3-bromo-5-chloro-2-hydroxybenzylidene]amino}phenyl)ethanone oxime), were synthesized via complexation of metal salts with based ligand HL1 (2-(3-bromo-5-chloro-2-hydroxyphenyl)-4-methyl-1,2-dihydroquinazoline 3-oxide, H is the deprotonatable hydrogen) originally. FT-IR, UV–Vis and fluorescence spectroscopic data of both complexes were compared with the ligand HL1. Both complexes were characterized by X-ray single-crystal diffraction and reveal that 1 has 2:1 whereas 2 has 1:1 ligand-to-metal ratio. In the crystal structures, both complexes form an infinite 1-D chain-like and 2-D, 3-D supramolecular frameworks. Moreover, antimicrobial activity of 2 was also studied. Density functional theory (DFT) calculations were carried out to ascertain the optimum geometry structure of two complexes, is devoted to the analysis of the interesting supramolecular assemblies in the solid state of the structures. In addition, the noncovalent interactions among complexes have been also analyzed using Hirshfeld surface analysis. [ABSTRACT FROM AUTHOR]