title: Synthesis, characterization, molecular modeling and antimicrobial activity of 2-(2-(ethylcarbamothioyl)hydrazinyl)-2-oxo-N-phenylacetamide copper complexes.
abstract: Six Cu(II) complexes of 2-(2-(ethylcarbamothioyl)hydrazinyl)-2-oxo-N-phenylacetamide (H(3)APET) have been prepared and characterized by elemental analyses, spectral (IR, UV-vis, (1)H NMR and ESR) as well as magnetic and thermal measurements. The data revealed that the ligand acts as ON bidentate, ONS tridentate or ONNS tetradentate forming structure in which each copper atom is a tetrahedral or tetragonal environment. The bond length, bond angle, HOMO, LUMO, dipole moment and charges on the atoms have been calculated to confirm the geometry of the ligand and the investigated complexes. Kinetic parameters were determined for each thermal degradation stage of the Cu(II) complexes using Coats-Redfern and Horowitz-Metzger methods. Moreover, the ligand and its complexes were screened against bacteria Staphylococcus aureus, Escherichia coli, Candida and fungi, Albicans and Aspergillus flavus using the inhibitory zone diameter.
authors.affiliation: Department of Chemistry, Faculty of Science, Mansoura University, Mansoura, P.O. Box 70, Mansoura, Egypt.
authors.forename: Ola A
authors.initials: OA
authors.lastname: El-Gammal
mesh_terms: D000083:Acetanilides / Q000138:chemical synthesis* / Q000737:chemistry* / Q000378:metabolism; D000900:Anti-Bacterial Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D000935:Antifungal Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D001231:Aspergillus flavus / Q000187:drug effects / Q000254:growth & development; D002176:Candida albicans / Q000187:drug effects / Q000254:growth & development; D003300:Copper / Q000737:chemistry* / Q000378:metabolism*; D004578:Electron Spin Resonance Spectroscopy; D004926:Escherichia coli / Q000187:drug effects / Q000254:growth & development; D007700:Kinetics; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D015394:Molecular Structure; D019906:Nuclear Magnetic Resonance, Biomolecular; D013055:Spectrophotometry, Infrared; D013211:Staphylococcus aureus / Q000187:drug effects / Q000254:growth & development; D013816:Thermodynamics
chemical_list: D000083:Acetanilides; D000900:Anti-Bacterial Agents; D000935:Antifungal Agents; D003300:Copper