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

Abstract

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 OH⋯O intermolecular interactions and also display weak CH⋯π and CH⋯S interactions. The crystal structure of 2 exhibit the formation of one dimensional chain held by weak OH⋯S, (Cp)CH⋯O and π⋯π interactions. Additionally 2 also display the formation of one dimensional chain because of the (Cp)CH⋯S and (Cp)CH⋯π interactions. These interactions have been addressed by ab initio and atoms-in-molecules analyses.