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

The title compound, (C(6)H(11))(3)PS (systematic name: tri­cyclo­hexyl-λ(5)-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,...

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Autores principales: Tan, Yi Jiun, Yeo, Chien Ing, Halcovitch, Nathan R., Jotani, Mukesh M., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5382606/
https://www.ncbi.nlm.nih.gov/pubmed/28435705
http://dx.doi.org/10.1107/S205698901700353X
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author Tan, Yi Jiun
Yeo, Chien Ing
Halcovitch, Nathan R.
Jotani, Mukesh M.
Tiekink, Edward R. T.
author_facet Tan, Yi Jiun
Yeo, Chien Ing
Halcovitch, Nathan R.
Jotani, Mukesh M.
Tiekink, Edward R. T.
author_sort Tan, Yi Jiun
collection PubMed
description The title compound, (C(6)H(11))(3)PS (systematic name: tri­cyclo­hexyl-λ(5)-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.
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spelling pubmed-53826062017-04-21 A triclinic polymorph of tri­cyclo­hexyl­phosphane sulfide: crystal structure and Hirshfeld surface analysis Tan, Yi Jiun Yeo, Chien Ing Halcovitch, Nathan R. Jotani, Mukesh M. Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, (C(6)H(11))(3)PS (systematic name: tri­cyclo­hexyl-λ(5)-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. International Union of Crystallography 2017-03-10 /pmc/articles/PMC5382606/ /pubmed/28435705 http://dx.doi.org/10.1107/S205698901700353X Text en © Tan et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Tan, Yi Jiun
Yeo, Chien Ing
Halcovitch, Nathan R.
Jotani, Mukesh M.
Tiekink, Edward R. T.
A triclinic polymorph of tri­cyclo­hexyl­phosphane sulfide: crystal structure and Hirshfeld surface analysis
title A triclinic polymorph of tri­cyclo­hexyl­phosphane sulfide: crystal structure and Hirshfeld surface analysis
title_full A triclinic polymorph of tri­cyclo­hexyl­phosphane sulfide: crystal structure and Hirshfeld surface analysis
title_fullStr A triclinic polymorph of tri­cyclo­hexyl­phosphane sulfide: crystal structure and Hirshfeld surface analysis
title_full_unstemmed A triclinic polymorph of tri­cyclo­hexyl­phosphane sulfide: crystal structure and Hirshfeld surface analysis
title_short A triclinic polymorph of tri­cyclo­hexyl­phosphane sulfide: crystal structure and Hirshfeld surface analysis
title_sort triclinic polymorph of tri­cyclo­hexyl­phosphane sulfide: crystal structure and hirshfeld surface analysis
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5382606/
https://www.ncbi.nlm.nih.gov/pubmed/28435705
http://dx.doi.org/10.1107/S205698901700353X
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