Preparation of bisthiourea and 5-Amino-4-benzoyl-1,2,4-triazol-3-thione complexes of Copper (II), Nickel and Zinc and their biological evolution

•Novel Cu(II), Ni(II) and Zn(II) complexes with bis-thiourea and triazole moieties.•The quantum-chemical calculations of reaction centres in ligands.•The investigation of compositions and structure of Cu(II), Ni(II), Zn(II) complexes.•The antimicrobial and antifungal activity of received compounds.

Novel Cu(II), Ni(II) and Zn(II) complexes that have N-({2-[(allylamino)carbonothioyl]hydrazino}carbonothioyl)benzamide, 5-allylamino-4-benzoyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and 3-benzoyl-6-bromo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-2(1H)-thione moieties have been synthesized. All complexes were prepared by the same technique by means of the interaction of ligands and a corresponding metal (molar ratio 3:1) in boiling water-ethanol solution during 5 min. All the new compounds have been characterized by elemental analysis and various spectroscopic methods (IR, UV, 1H, 13C NMR), and particularly for Ni(L1)2 by X-ray crystal structure determination. In addition, the possibility of biological evolution of the obtained compounds is shown.

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