A triclinic polymorph of tri-cyclo-hexyl-phosphane sulfide: crystal structure and Hirshfeld surface analysis.
Acta Crystallogr E Crystallogr Commun
; 73(Pt 4): 493-499, 2017 Apr 01.
Article
in En
| MEDLINE
| ID: mdl-28435705
ABSTRACT
The title compound, (C6H11)3PS (systematic name tri-cyclo-hexyl-λ5-phosphane-thione), is a triclinic (P-1, Z' = 1) polymorph of the previously reported ortho-rhom-bic form (Pnma, Z' = 1/2) [Kerr et al. (1977 â¸). Can. J. Chem. 55, 3081-3085; Reibenspies et al. (1996 â¸). Z. Kristallogr. 211, 400]. While conformational differences exist between the non-symmetric mol-ecule in the triclinic polymorph, cf. the mirror-symmetric mol-ecule in the ortho-rhom-bic form, these differences are not chemically significant. The major feature of the mol-ecular packing in the triclinic polymorph is the formation of linear chains along the a axis sustained by methine-C-Hâ¯S(thione) inter-actions. The chains pack with no directional inter-actions between them. The analysis of the Hirshfeld surface for both polymorphs indicates a high degree of similarity, being dominated by Hâ¯H (ca 90%) and Sâ¯H/Hâ¯S contacts.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Acta Crystallogr E Crystallogr Commun
Year:
2017
Document type:
Article
Affiliation country:
Malaysia