title: Spectral characterization, molecular modeling and antimicrobial studies on hydrazone metal complexes of 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)dione and S-methyl dithiocarbazate.
abstract: Metal complexes of copper(II), nickel(II), cobalt(II), oxovanadium(IV), chromium(III) and cadmium(II) with a new bridged ONS dibasic tridentate hydrazone (H2L) derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione with S-methyl dithiocarbazate have been synthesized and characterized by elemental analysis, molar conductance, magnetic susceptibility measurements, spectral (infrared, electronic, mass, 1H NMR and ESR) studies as well as thermal gravimetric analysis (TGA). The synthesized complexes have dimeric structures with the general formula [ML(NO3)m(H2O)x]2·nH2O·zMeOH, L=dianion of the hydrazone, m=0-1, x=0-2, n=0-4 and z=0-1. The metal complexes exhibited square planar, tetrahedral and octahedral geometrical arrangements, the molar conductivity data indicates that all complexes are neutral. The Coats-Redfern equation was used to calculate the kinetic and thermodynamic parameters for the different thermal decomposition stages of some complexes. Structural parameters of the ligand and its metal complexes have been theoretically computed on the basis of semiempirical PM3 level and the results were correlated with their experimental data. Antibacterial activities of the free ligand and its metal complexes were screened against various organisms.
authors.affiliation: Department of Chemistry, Faculty of Education, Ain Shams University, Roxy, Cairo, Egypt. Electronic address: awrit@yahoo.com.
authors.forename: Ali
authors.initials: A
authors.lastname: Taha
authors.affiliation: Department of Chemistry, University College in Mekkah, Umm Al-Qura University, Mekkah 21955, Saudi Arabia.
authors.forename: Adel A A
authors.initials: AA
authors.lastname: Emara
authors.affiliation: Department of Chemistry, Faculty of Education, Ain Shams University, Roxy, Cairo, Egypt.
authors.forename: Mahmoud M
authors.initials: MM
authors.lastname: Mashaly
authors.affiliation: Department of Chemistry, Faculty of Education, Ain Shams University, Roxy, Cairo, Egypt.
authors.forename: Omima M I
authors.initials: OM
authors.lastname: Adly
mesh_terms: D000890:Anti-Infective Agents / Q000737:chemistry*; D002626:Chemistry, Pharmaceutical; D056831:Coordination Complexes / Q000737:chemistry*; D019281:Dimerization; D004578:Electron Spin Resonance Spectroscopy; D006835:Hydrazones / Q000737:chemistry*; D007477:Ions; D007700:Kinetics; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy; D008670:Metals / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D013053:Spectrophotometry; D013055:Spectrophotometry, Infrared; D013816:Thermodynamics; D013818:Thermogravimetry; D013843:Thiazines / Q000737:chemistry*
chemical_list: D000890:Anti-Infective Agents; D056831:Coordination Complexes; D006835:Hydrazones; D007477:Ions; D008024:Ligands; D008670:Metals; D013843:Thiazines
keywords: 5-Acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione; Molecular modeling and antimicrobial activity; ONS tridentate hydrazone ligand