Integrated Experimental and Theoretical Studies of Organotin(IV)‐Hydrazone Complexes: Synthesis, Structural Elucidation, Computational Insights, and Antimicrobial Activity
Pinki Barwa, Sonika Asija, Kashmiri Lal, Yogesh Deswal, Jagat Singh Kirar, Shikha Poonia, Anju Ragshaniya
Abstract
ABSTRACT In the search of some new therapeutic agents against microbial infections, a series of pentacoordinated diorganotin(IV) complexes [R 2 SnL 1–2 ] were prepared by reacting 2‐(4‐chloro‐2‐methylphenoxy)acetohydrazide and 3‐ethoxy/5‐nitrosalicylaldehyde with R 2 SnCl 2 (R = Me, n ‐Bu, Et, Ph). Various spectral techniques, including NMR ( 1 H, 13 C, 119 Sn), FT‐IR, and HRMS, confirmed their pentacoordinated geometry of complexes, further validated by single‐crystal x‐ray diffraction (SC‐XRD) analysis of complex 3 [Me 2 SnL 1 ] that displays monoclinic crystal system with a deformed square‐pyramidal geometry around the tin metal center, with two methyl groups, N azomethine , O phenolic , and O enolic atoms. Furthermore, the antimicrobial study shows that all synthesized compounds ( 1–10 ) exhibit significant activity against microbial infections. Among them, complexes 6 and 10 demonstrated the highest efficacy. Findings confirmed that the biological activity of complexes surpasses that of ligands ( 1, 2 ) itself, with complex 6 [Ph 2 SnL 1 ] demonstrating highest efficiency in controlling microbial infections with minimum inhibitory concentration (MIC) values of 0.0049 µmol/mL against Candida albicans and Escherichia coli and comparable to standard drugs such as ciprofloxacin and fluconazole. To validate the enhanced antimalarial potential of the ligand 1 and its complexes ( 3–6 ), density functional theory (DFT) calculations were performed on all synthesized compounds.