A novel 3D Ag (I) metal-organic coordination polymer (Ag-MOCP): Crystallography, Hirshfeld surface analysis, antibacterial effect and molecular docking studies

Sub-micro and nanoparticles of silver (I) metal-organic coordination polymer [Ag2L]n (1) (H2L ​= ​1,4-phenylenedipropionic acid) were fabricated using a sonochemical technique. X-ray powder diffraction (XRPD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), and elemental analyses, were employed to characterize the structure. The single-crystal X-ray results obtained from compound 1 showed that the Ag atoms were five coordinated. Differential thermal analyses (DTA) and thermal gravimetric (TG) were used to study the compound 1 thermal stability. The impact of sonication force, reaction period, the concentration of the reactant, and the temperature on the formation and the ultimate nanostructure morphology, generated by the sonochemical approach, were also studied. The findings showed that raising the temperature and shortening the reaction time reduced particle size. Different amounts of reactants, as well as reaction duration, had a direct impact on the final nanostructure size (1), while temperature and sonication strength indicated an opposite impact. In addition, the antibacterial features of silver (I) nanostructures were explored. The Hirshfeld surfaces of Ag-MOCP crystal packing and the fingerprint maps were used to obtain data regarding non-covalent interactions, furthermore molecular docking studies were carried out to explore the binding interactions with target cells. [Display omitted] •A new silver (I) MOCP [Ag2L]n (1) (H2L ​= ​1,4-phenylenedipropionic acid), has been synthesized and characterizade.•The coordination number of Ag(I) ions in compound 1 is 5-coordinated and the crystal structure is 3D supramolecular.•Antibacterial of [Ag2L]n solution against E. Coli and S. Aureus was investigated.•Molecular docking studies were carried out to explore the binding interactions with target cells.