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

Tan, Yi Jiun and Yeo, Chien Ing and Halcovitch, Nathan R. and Jotani, Mukesh M. and Tiekink, Edward R. T. (2017) A triclinic polymorph of tricyclohexylphosphane sulfide:crystal structure and Hirshfeld surface analysis. Acta Crystallographica Section E: Crystallographic Communications, 73 (4). pp. 493-499.

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Abstract

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.

Item Type:
Journal Article
Journal or Publication Title:
Acta Crystallographica Section E: Crystallographic Communications
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/3100/3104
Subjects:
ID Code:
85943
Deposited By:
Deposited On:
20 Apr 2017 08:58
Refereed?:
Yes
Published?:
Published
Last Modified:
01 Jan 2020 10:18