ABSTRACT A series of novel silver(I) complexes bearing N‐heterocyclic carbene (NHC) ligands were successfully synthesized and characterized using spectroscopic methods, elemental analysis, and X‐ray diffraction techniques. Single‐crystal X‐ray diffraction analysis establishes complex 2f as a neutral monomeric silver(I) complex Ag(L) 2 Cl. The compound crystallizes in the monoclinic space group P2 1 /n ( Z = 4) with unit‐cell parameters a = 12.698(3) Å, b = 9.872(2) Å, c = 24.428(5) Å, β = 91.149(9)°. Hirshfeld surface analysis reveals that crystal packing is governed by dispersion‐dominated H⋯H contacts (47.3%), supplemented by nonclassical C–H⋯N (17.9%) and C–H⋯Cl (6%) hydrogen bonds, along with enriched π–π stacking interactions. Powder X‐ray diffraction confirmed the phase purity of the bulk samples. The electronic structures of the complexes were further elucidated by elemental analysis and FT‐IR spectroscopy, supporting coordination via carbene carbon atoms. In parallel, the antibacterial activity of the synthesized compounds was evaluated against representative Gram‐positive and Gram‐negative bacterial strains. Several silver–NHC complexes demonstrated pronounced antibacterial effects, with inhibition zone diameters ranging from 11.94 to 28.99 mm and minimum inhibitory concentration (MIC) values between 0.073 and > 10 mg/mL. Among these, complex 3g exhibited the highest antibacterial potency, particularly against Listeria monocytogenes (MIC = 0.073 ± 0.05 mg/mL), alongside significant activity against Staphylococcus aureus (MIC = 0.621 ± 0.05 mg/mL). By contrast, complex 3f showed strong activity against the two Gram‐negative strains, respectively, Pseudomonas aeruginosa (MIC = 0.075 ± 0.05 mg/mL) and Salmonella enterica (MIC = 0.076 ± 0.05 mg/mL). Cytotoxicity study of the silver(I) complexes 3 was evaluated against the two human cancer cell lines MDA‐MB‐231 and MCF‐7 . These findings highlight the potential of NHC–silver complexes as versatile agents in medicinal chemistry and provide valuable insights into their structure–function correlations.
Boubakri et al. (Wed,) studied this question.