(N,N′-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study

Farah N. H., and Normah Awang, and Nurul Farahana Kamaludin, and Jotani, Mukesh M. and Tiekink, Edward R. T. * (2019) (N,N′-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study. Acta Crystallographica Section E Crystallographic Communications, 75 (10). pp. 1479-1485. ISSN 2056-9890 (In Press)

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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 [SnS = 2.9264 (4) A˚ ] is largely responsible for the distortion. The molecular packing is almost devoid of directional interactions with only weak phenyl-C—HC(phenyl) interactions, leading to centrosymmetric dimeric aggregates, being noted. An analysis of the calculated Hirshfeld surface points to the significance of HH contacts, which contribute 66.6% of all contacts to the surface, with CH/HC [26.8%] and SH/HH [6.6%] contacts making up the balance.

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