Author/Authors :
Tan, Yi Jiun Research Centre for Crystalline Materials - School of Science and Technology - Sunway University, Malaysia , Yeo, Chien Ing Research Centre for Crystalline Materials - School of Science and Technology - Sunway University, Malaysia , Halcovitch, Nathan R. Department of Chemistry - Lancaster University, United Kingdom , Jotani, Mukesh M. Department of Physics - Bhavan's Sheth R. A. College of Science, India , Tiekink, Edward R. T. Research Centre for Crystalline Materials - School of Science and Technology - Sunway University, Malaysia
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[Kerr, K. A., Boorman, P. M., Misener, B. S. & van Roode, J. H. G. (1977). Can. J. Chem. 55, 3081-3085.]). Can. J. Chem. 55, 3081–3085; Reibenspies et al. (1996[Reibenspies, J. H., Draper, J. D., Struck, G. & Darensbourg, D. J. (1996). Z. Kristallogr. 211, 400.]). 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.
Keywords :
crystal structure , triorganophosphane sulfide , polymorph , Hirshfeld surface analysis
