Supramolecular architecture of organotin(IV) N-methyl ferrocenyl N-ethanol dithiocarbamates: Crystallographic and computational studies

Four new organotin(IV) ferrocenyl dithiocarbamate complexes viz. [(FcCH₂EtOHdtc)₂SnR₂] (R = Me (1), n-Bu (2) and Ph (3)) and [(FcCH₂EtOHdtc)SnPh₃] (4) have been synthesized and characterized by electronic absorption, IR, ¹H, ¹³C and ¹¹⁹Sn NMR spectroscopy. The molecular structures of 1 and 2 have been confirmed by single crystal X-ray diffraction technique. The X-ray analyses for 1 and 2 reveal a skew trapezoidal bipyramid geometry around Sn(IV) which is being satisfied by the two sulfur atoms of the two dithiocarbamate ligands in anisobidentate fashion. In the crystal structure of 1, an interesting one dimensional chain held by O[sbnd]H⋯O intermolecular interactions and also display weak C[sbnd]H⋯π and C[sbnd]H⋯S interactions. The crystal structure of 2 exhibit the formation of one dimensional chain held by weak O[sbnd]H⋯S, (Cp)C[sbnd]H⋯O and π⋯π interactions. Additionally 2 also display the formation of one dimensional chain because of the (Cp)C[sbnd]H⋯S and (Cp)C[sbnd]H⋯π interactions. These interactions have been addressed by ab initio and atoms-in-molecules analyses.