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A triclinic polymorph of tricyclohexylphosphane sulfide: crystal structure and Hirshfeld surface analysis

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<mark>Journal publication date</mark>1/04/2017
<mark>Journal</mark>Acta Crystallographica Section E: Crystallographic Communications
Issue number4
Number of pages7
Pages (from-to)493-499
Publication StatusPublished
<mark>Original language</mark>English


The title compound, (C6H11)3PS (systematic name: Tricyclohexyl-λ5-phosphanethione), is a triclinic (P-1, Z′ = 1) polymorph of the previously reported orthorhombic form (Pnma, Z′ = 1/2) [Kerr et al. (1977). Can. J. Chem. 55, 3081-3085; Reibenspies et al. (1996). Z. Kristallogr. 211, 400]. While conformational differences exist between the non-symmetric molecule in the triclinic polymorph, cf. the mirror-symmetric molecule in the orthorhombic form, these differences are not chemically significant. The major feature of the molecular packing in the triclinic polymorph is the formation of linear chains along the a axis sustained by methine-C-H⋯S(thione) interactions. The chains pack with no directional interactions between them. The analysis of the Hirshfeld surface for both polymorphs indicates a high degree of similarity, being dominated by H⋯H (ca 90%) and S⋯H/H⋯S contacts.