Abstract

The crystal and mol-ecular structures of the title triorganotin di-thio-carbamate, [Sn(C6H5)3(C7H14NS2)], are described. The mol-ecular geometry about the metal atom is highly distorted being based on a C3S tetra-hedron as the di-thio-carbamate 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 mol-ecular packing is almost devoid of directional inter-actions with only weak phenyl-C-H⋯C(phen-yl) inter-actions, 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.

Highlights

  • Chemical contextOrganotin(IV) compounds have long been investigated as potential anti-cancer agents (Gielen & Tiekink, 2005) and studies in this area continue

  • The tin atom in (I), Fig. 1, is coordinated by an asymmetrically bound dithiocarbamate ligand and three ipso-carbon atoms of the phenyl groups (Table 1)

  • This is supported in the pattern of C—S bond lengths with that involving the more tightly bound S1 atom being nearly 0.06 Alonger than the equivalent bond with the weakly bound S2 atom

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Summary

Chemical context

Organotin(IV) compounds have long been investigated as potential anti-cancer agents (Gielen & Tiekink, 2005) and studies in this area continue. Organotin compounds have received much attention owing to their potential therapeutic potential as anti-fungal, anti-bacterial, anti-malarial and schizonticidal agents (Khan et al, 2014). Metal dithiocarbamates have encouraged much interest in the context of chemotherapeutic agents (Hogarth, 2012) and these include organotin(IV) dithiocarbamate compounds (Tiekink, 2008; Adeyemi & Onwudiwe, 2018). In view of the wide-range of applications/potential of organotin(IV) dithiocarbamate compounds and in continuation of on-going studies in this area (Khan et al, 2015; Mohamad et al 2016, 2017, 2018), the title compound, Ph3Sn[S2CN(i-Pr)2], (I), was synthesized and characterized spectroscopically.

Structural commentary
Supramolecular features
Computational chemistry
Database survey
Synthesis and crystallization
Refinement
Findings
Funding information
Full Text
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