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(N,N-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study
The crystal and molecular structures of the title triorganotin dithiocarbamate, [Sn(C(6)H(5))(3)(C(7)H(14)NS(2))], are described. The molecular geometry about the metal atom is highly distorted being based on a C(3)S tetrahedron as the dithiocarbamate ligand is asymmetrically chelating to the...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6775739/ https://www.ncbi.nlm.nih.gov/pubmed/31636979 http://dx.doi.org/10.1107/S2056989019012490 |
Sumario: | The crystal and molecular structures of the title triorganotin dithiocarbamate, [Sn(C(6)H(5))(3)(C(7)H(14)NS(2))], are described. The molecular geometry about the metal atom is highly distorted being based on a C(3)S 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. |
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