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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,...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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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. |
format | Online Article Text |
id | pubmed-5382606 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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