Synthesis, XRD, Hirshfeld surface analysis, DFT studies, cytotoxicity and anticancer activity of di(m-chlorobenzyl) (dichloro) (4, 7-diphenyl-1,10-phenanthroline) tin (IV) complex

•New series of tin complex di(m-chlorobenzyl) (dichloro) (4, 7-diphenyl-1,10-phenanthroline) tin (IV) complex was synthesized.•Sn(IV) complexes show promising properties for use as pharmaceutical for anticancer activity.•The spectroscopic features of the complex were investigated by DFT followed by detailed vibrational assignment of the IR spectrum.•Chemical reactivity sites identified, and possible non-covalent interactions mapped using RDG. The complex di(m-chlorobenzyl) (dichloro) (4, 7-diphenyl-1,10-phenanthroline) tin (IV) complex (B2) was synthesized and characterized by FT-IR, FT-Raman, 1H NMR, 13C NMR, 119Sn NMR, and XRD. The above-synthesized complex compared with the theoretical method using Gaussian software at DFT/B3LYP/Lanl2DZ. Wavefunctiona based properties like ELF and LOL helped to identify the electron distributions. X-ray study confirmed that compound crystallizes in monoclinic space group with P21/c,. The crystal structure of the B2 shows a regular octahedral geometry.Hydrogen bond formation is observed through chlorine anion via CH—Cl. The complex showed excellent cytotoxicity and anticancer activity against Vero and Hela cell line when compared to the standard drug cisplatin. [Display omitted]