Crystal structure, DFT, spectroscopic and biological activity evaluation of analgin complexes with Co(ii), Ni(ii) and Cu(ii)

Reaction of analgin (NaL) with Co(ii), Ni(ii) and Cu(ii) salts in ethanol affords complexes of the type [ML2], which were characterized by elemental analysis, FT IR, UV-Vis, EPR, TG/DTA, magnetic susceptibility and conductance measurements. The copper(ii) complex crystallizes in the orthorhombic Pbc...

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Published in:Dalton transactions : an international journal of inorganic chemistry 2014-11, Vol.43 (42), p.15950-15957
Main Author: Mansour, Ahmed M
Format: Article
Language:English
Subjects:
ACTIVITY
Anti-Bacterial Agents - chemistry
Anti-Bacterial Agents - pharmacology
Antiinfectives and antibacterials
Biological
BONDING
Cobalt - chemistry
Cobalt - pharmacology
Coordination Complexes - chemistry
Coordination Complexes - pharmacology
Copper - chemistry
Copper - pharmacology
CRYSTAL STRUCTURE
Dipyrone - chemistry
Dipyrone - pharmacology
Electronic structure
Escherichia coli - drug effects
Ethanol
ETHYL ALCOHOL
Molecular Structure
Nickel - chemistry
Nickel - pharmacology
Orbitals
Spectrophotometry
Staphylococcus aureus - drug effects
Sulfonates
X-Ray Diffraction
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Summary:Reaction of analgin (NaL) with Co(ii), Ni(ii) and Cu(ii) salts in ethanol affords complexes of the type [ML2], which were characterized by elemental analysis, FT IR, UV-Vis, EPR, TG/DTA, magnetic susceptibility and conductance measurements. The copper(ii) complex crystallizes in the orthorhombic Pbca space group. Analgin behaves as a mono-negatively tridentate ligand via pyrazolone O, sulfonate O and tertiary amino groups. The interaction of the tertiary nitrogen with M(n+) ions is the main factor which determines the stability of complexes as revealed from natural bond orbital analysis data, where the binding energy of [ML2] decreases with an increase in the bond length of the M-N bond. Time-dependent density functional theory calculations were applied in order to realize the electronic structures and to explain the related experimental observations. The anti-bacterial activity was studied on Staphylococcus aureus and Escherichia coli. Coordination of analgin to Ni(ii) and Cu(ii) leads to a significant increase in its antibacterial activity as compared with the Co(ii) complex.
ISSN:1477-9226
1477-9234
DOI:10.1039/c4dt02366h