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

Farah Natasha Haezam, Normah Awang, Nurul Farahana Kamaludin, Mukesh M. Jotani, Edward R.T. Tiekink

Research output: Contribution to journalArticle

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.

Original languageEnglish
Pages (from-to)1479-1485
Number of pages7
JournalActa Crystallographica Section E: Crystallographic Communications
Volume75
DOIs
Publication statusPublished - 1 Oct 2019

Fingerprint

Surface analysis
Crystal structure
Thiones
Atoms
crystal structure
Tin
Chelation
tetrahedrons
Molecular structure
atoms
tin
molecular structure
Metals
Ligands
interactions
methylidyne
ligands
Geometry
geometry
metals

Keywords

  • Computational chemistry
  • Crystal structure
  • Dithiocarbamate
  • Hirshfeld surface analysis
  • Organotin

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

(N,N-Diisopropyldithiocarbamato)triphenyltin(IV) : Crystal structure, Hirshfeld surface analysis and computational study. / Haezam, Farah Natasha; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R.T.

In: Acta Crystallographica Section E: Crystallographic Communications, Vol. 75, 01.10.2019, p. 1479-1485.

Research output: Contribution to journalArticle

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