Synthesis, characterization and biological evaluation of a nanorod five‐coordinated Sn(IV) complex. Theoretical studies of (CH 3 ) 2 Sn(O 2 PPh 2 ) 2

A new five‐coordinated diorganotin(IV) complex with formula Sn(CH 3 ) 2 Cl 2 L (L = (C 6 H 5 ) 2 (O)P(NHC 6 H 11 )), with a rod‐shaped nanostructure, was synthesized using a sonochemical method. The nanostructure was characterized using various techniques. The bulk complex was also produced using a reflux method applied to a solution of the reagents. The ligand and bulk form were characterized using 1 H NMR, 13 C NMR, 31 P NMR, 119 Sn NMR, UV–visible and infrared spectroscopies. By direct calcination of the synthesized complex at 650°C, nanopowders were obtained with spherical‐like structure and diameters of 40–100 nm (for bulk form) and 20–60 nm (for nanometric form). Two different forms of Sn(IV) complex (C 1 , C 2 ) and the corresponding ligand were evaluated regarding their anticancer activity, as well as their influence on both Gram‐positive and Gram‐negative classes of bacteria. Among the compounds, nanostructured C 2 was found to be the most active with IC 50 of 62 ± 0.03 and 92 ± 0.09 μM against A2780 and PC‐3 cell lines. Preliminary antibacterial experiments were carried out using the cup test method, in which nanocomplex C 2 showed better activity against all the selected bacteria than other compounds. Moreover, single crystals of C 3 were obtained by the interaction of (CH 3 ) 2 Cl 2 Sn with L in ethanol–water solution, where the Sn(IV) ion is six‐coordinated with one‐dimensional polymeric chains. The intermolecular interactions which connected the chains into a two‐dimensional framework were supported by Hirshfeld surface analysis and fingerprint plots.