Title of article :
(N,N-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study
Author/Authors :
Haezam, Farah Natasha Environmental Health and Industrial Safety Programme - Faculty of Health Sciences - Universiti Kebangsaan Malaysia, J Malaysia , Awang, Normah Environmental Health and Industrial Safety Programme - Faculty of Health Sciences - Universiti Kebangsaan Malaysia, J Malaysia , Kamaludin, Nurul Farahana Environmental Health and Industrial Safety Programme - Faculty of Health Sciences - Universiti Kebangsaan Malaysia, J Malaysia , Jotani, Mukesh M. Department of Physics - Bhavan's Sheth R. A. College of Science, India , Tiekink, Edward R. T. Research Centre for Crystalline Materials - School of Science and Technology - Sunway University, Malaysia
Abstract :
The crystal and molecular structures of the title triorganotin dithiocarbamate, [Sn(C6H5)3(C7H14NS2)], are described. The molecular geometry about the metal atom is highly distorted being based on a C3S tetrahedron as the dithiocarbamate ligand is asymmetrically chelating to the tin centre. The close approach of the second thione-S atom [Sn⋯S = 2.9264 (4) Å] is largely responsible for the distortion. The molecular packing is almost devoid of directional interactions with only weak phenyl-C—H⋯C(phenyl) interactions, leading to centrosymmetric dimeric aggregates, being noted. An analysis of the calculated Hirshfeld surface points to the significance of H⋯H contacts, which contribute 66.6% of all contacts to the surface, with C⋯H/H⋯C [26.8%] and S⋯H/H⋯H [6.6%] contacts making up the balance.
Keywords :
crystal structure , organotin , dithiocarbamate , Hirshfeld surface analysis , computational chemistry
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
