Journal of Organometallic Chemistry

Volume 804, 15 February 2016, Pages 6–12

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

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doi:10.1016/j.jorganchem.2015.12.024
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Highlights

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Novel Cu(II), Ni(II) and Zn(II) complexes with bis-thiourea and triazole moieties.

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The quantum-chemical calculations of reaction centres in ligands.

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The investigation of compositions and structure of Cu(II), Ni(II), Zn(II) complexes.

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The antimicrobial and antifungal activity of received compounds.

Abstract

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.

Graphical abstract

Keywords

  • Transition metal complexes;
  • Organic ligands;
  • Bisthiourea;
  • 1,2,4-Triazole-3-thione and [1,2,4]triazolo[1,5-a]pyrimidine;
  • Computer modeling;
  • Antimicrobial & fungicidal activity
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