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A new monoclinic polymorph of 1,1′-bis(diphenylthiophosphoryl)ferrocene
The title compound, [Fe(C(17)H(14)PS)(2)], is a second monoclinic polymorph (P2(1)/c, with Z′ = 1) of the previously reported monoclinic (C2/c, with Z′ = 1/2) form [Fang et al. (1995 ▸). Polyhedron, 14, 2403–2409]. In the new form, the S atoms lie to the same side of the molecule with the pseudo S—...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571348/ https://www.ncbi.nlm.nih.gov/pubmed/26396747 http://dx.doi.org/10.1107/S2056989015012682 |
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author | Tan, Yee Seng Yeo, Chien Ing Tiekink, Edward R. T. |
author_facet | Tan, Yee Seng Yeo, Chien Ing Tiekink, Edward R. T. |
author_sort | Tan, Yee Seng |
collection | PubMed |
description | The title compound, [Fe(C(17)H(14)PS)(2)], is a second monoclinic polymorph (P2(1)/c, with Z′ = 1) of the previously reported monoclinic (C2/c, with Z′ = 1/2) form [Fang et al. (1995 ▸). Polyhedron, 14, 2403–2409]. In the new form, the S atoms lie to the same side of the molecule with the pseudo S—P⋯P—S torsion angle being −53.09 (3)°. By contrast to this almost syn disposition, in the C2/c polymorph, the Fe atom lies on a centre of inversion so that the S atoms are strictly anti, with a pseudo-S—P⋯P—S torsion angle of 180°. The significant difference in molecular conformation between the two forms does not result in major perturbations in the P=S bond lengths nor in the distorted tetrahedral geometries about the P atoms. The crystal packing of the new monoclinic polymorph features weak Cp—C—H⋯π(phenyl) interactions consolidating linear supramolecular chains along the a axis. These pack with no directional interactions between them. |
format | Online Article Text |
id | pubmed-4571348 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45713482015-09-22 A new monoclinic polymorph of 1,1′-bis(diphenylthiophosphoryl)ferrocene Tan, Yee Seng Yeo, Chien Ing Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, [Fe(C(17)H(14)PS)(2)], is a second monoclinic polymorph (P2(1)/c, with Z′ = 1) of the previously reported monoclinic (C2/c, with Z′ = 1/2) form [Fang et al. (1995 ▸). Polyhedron, 14, 2403–2409]. In the new form, the S atoms lie to the same side of the molecule with the pseudo S—P⋯P—S torsion angle being −53.09 (3)°. By contrast to this almost syn disposition, in the C2/c polymorph, the Fe atom lies on a centre of inversion so that the S atoms are strictly anti, with a pseudo-S—P⋯P—S torsion angle of 180°. The significant difference in molecular conformation between the two forms does not result in major perturbations in the P=S bond lengths nor in the distorted tetrahedral geometries about the P atoms. The crystal packing of the new monoclinic polymorph features weak Cp—C—H⋯π(phenyl) interactions consolidating linear supramolecular chains along the a axis. These pack with no directional interactions between them. International Union of Crystallography 2015-07-04 /pmc/articles/PMC4571348/ /pubmed/26396747 http://dx.doi.org/10.1107/S2056989015012682 Text en © Tan et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Tan, Yee Seng Yeo, Chien Ing Tiekink, Edward R. T. A new monoclinic polymorph of 1,1′-bis(diphenylthiophosphoryl)ferrocene |
title | A new monoclinic polymorph of 1,1′-bis(diphenylthiophosphoryl)ferrocene |
title_full | A new monoclinic polymorph of 1,1′-bis(diphenylthiophosphoryl)ferrocene |
title_fullStr | A new monoclinic polymorph of 1,1′-bis(diphenylthiophosphoryl)ferrocene |
title_full_unstemmed | A new monoclinic polymorph of 1,1′-bis(diphenylthiophosphoryl)ferrocene |
title_short | A new monoclinic polymorph of 1,1′-bis(diphenylthiophosphoryl)ferrocene |
title_sort | new monoclinic polymorph of 1,1′-bis(diphenylthiophosphoryl)ferrocene |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571348/ https://www.ncbi.nlm.nih.gov/pubmed/26396747 http://dx.doi.org/10.1107/S2056989015012682 |
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