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A novel binuclear copper complex incorporating a nalidixic acid derivative displaying a one-dimensional coordination
F R G Bergamini1, M A Ribeiro1, P C M L Miranda2
1Department of Inorganic Chemistry, Institute of Chemistry, University of Campinas-UNICAMP, PO Box 6154, Campinas, SP 13083-970, Brazil.
Summary
Researchers synthesized a novel copper(II) coordination polymer using a nalidixic acid derivative. This study details its crystal structure and compares it with theoretical models, advancing antimicrobial drug development.
Area of Science:
- Coordination Chemistry
- Materials Science
- Medicinal Chemistry
Background:
- Nalidixic acid (nx) is a foundational quinolone antibiotic, inspiring research into related structures for improved efficacy and reduced side effects.
- Structural modifications of nalidixic acid, particularly its hydrazone derivatives, offer potential for developing new antimicrobial agents.
- Few coordination complexes of nalidixic acid hydrazone derivatives have been reported, and none with elucidated crystal structures.
Purpose of the Study:
- To synthesize and characterize a new one-dimensional copper(II) coordination polymer derived from a nalidixic acid hydrazone derivative.
- To elucidate the crystal structure of the synthesized coordination polymer.
- To compare the experimental structural data with density functional theory (DFT) optimized structures of the free ligand.
Main Methods:
- Synthesis of the nalidixic acid hydrazone derivative (h4imi) via condensation.
- Formation of the copper(II) coordination polymer through reaction with copper(II) chloride.
- X-ray crystallography for determining the crystal structure of the polymer.
- Density Functional Theory (DFT) calculations for the optimized structure of the free ligand.
Main Results:
- Successful synthesis of a novel one-dimensional copper(II) coordination polymer: catena-poly[[copper(II)-di-μ-chlorido-copper(II)-{μ-1-ethyl-N'-[(1H-imidazol-4-yl)methylidene]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazidato}-[dimethanolcopper(II)]-{μ-1-ethyl-N'-[(1H-imidazol-3-yl)methylidene]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazidato}] dichloride methanol tetrasolvate], {[Cu3(C16H15N6O2)2Cl2(CH3OH)2]Cl2·4CH3OH}n.
- The crystal structure reveals alternating octahedral and square-pyramidal Cu(II) ions bridged by chloride ligands, forming a polymer chain.
- Analysis of geometrical parameters shows differences between the coordinated ligand in the polymer and the free ligand optimized via DFT.
Conclusions:
- The study presents the first crystal structure of a copper(II) coordination polymer involving a nalidixic acid hydrazone derivative.
- The structural comparison highlights the conformational changes in the ligand upon coordination to copper(II) ions.
- Findings contribute to understanding metal-ligand interactions in coordination polymers derived from biologically relevant molecules.
Keywords:
DFTbinuclear complexcarbonyl hydrazonecomputational chemistrycrystal structurenalidixic acidone-dimensional copper(II) coordination polymerMore Related Videos
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