Final published version
Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
}
TY - JOUR
T1 - A triclinic polymorph of tricyclohexylphosphane sulfide
T2 - crystal structure and Hirshfeld surface analysis
AU - Tan, Yi Jiun
AU - Yeo, Chien Ing
AU - Halcovitch, Nathan R.
AU - Jotani, Mukesh M.
AU - Tiekink, Edward R. T.
PY - 2017/4/1
Y1 - 2017/4/1
N2 - 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.
AB - 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.
KW - crystal structure
KW - Hirshfeld surface analysis
KW - polymorph
KW - triorganophosphane sulfide
U2 - 10.1107/S205698901700353X
DO - 10.1107/S205698901700353X
M3 - Journal article
C2 - 28435705
AN - SCOPUS:85017311020
VL - 73
SP - 493
EP - 499
JO - Acta Crystallographica Section E: Crystallographic Communications
JF - Acta Crystallographica Section E: Crystallographic Communications
IS - 4
ER -