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(R)-2-[(Dimethylamino)methyl]-1,1′-bis(diphenylphosphinothioyl)ferrocene dichloromethane monsolvate
In the title compound, [Fe(C(20)H(21)NPS)(C(17)H(14)PS)]·CH(2)Cl(2), both cyclopentadienyl (Cp) rings constituting the ferrocene unit are substituted by a sulfur-protected diphenylphosphine. One of the Cp ligands is additionally substituted by a dimethylaminomethyl group causing the chirality o...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379127/ https://www.ncbi.nlm.nih.gov/pubmed/22719348 http://dx.doi.org/10.1107/S1600536812022301 |
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author | Philippe, Elisabeth Manoury, Eric Daran, Jean-Claude |
author_facet | Philippe, Elisabeth Manoury, Eric Daran, Jean-Claude |
author_sort | Philippe, Elisabeth |
collection | PubMed |
description | In the title compound, [Fe(C(20)H(21)NPS)(C(17)H(14)PS)]·CH(2)Cl(2), both cyclopentadienyl (Cp) rings constituting the ferrocene unit are substituted by a sulfur-protected diphenylphosphine. One of the Cp ligands is additionally substituted by a dimethylaminomethyl group causing the chirality of the molecule. Surprisingly, although the synthetic procedure yielded the title compound as a racemic mixture, the reported crystal is enantiomerically pure with the R absolute configuration. The dimethylamino group is exo with respect to the Cp ring. Both diphenylthiophosphine groups are trans with respect to the centroid–Fe–centroid direction. Weak intramolecular C—H⋯S and C—H⋯π interactions between symmetry-related molecules are observed. The contribution of the disordered solvent was removed from the refinement using SQUEEZE in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155]. |
format | Online Article Text |
id | pubmed-3379127 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33791272012-06-20 (R)-2-[(Dimethylamino)methyl]-1,1′-bis(diphenylphosphinothioyl)ferrocene dichloromethane monsolvate Philippe, Elisabeth Manoury, Eric Daran, Jean-Claude Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Fe(C(20)H(21)NPS)(C(17)H(14)PS)]·CH(2)Cl(2), both cyclopentadienyl (Cp) rings constituting the ferrocene unit are substituted by a sulfur-protected diphenylphosphine. One of the Cp ligands is additionally substituted by a dimethylaminomethyl group causing the chirality of the molecule. Surprisingly, although the synthetic procedure yielded the title compound as a racemic mixture, the reported crystal is enantiomerically pure with the R absolute configuration. The dimethylamino group is exo with respect to the Cp ring. Both diphenylthiophosphine groups are trans with respect to the centroid–Fe–centroid direction. Weak intramolecular C—H⋯S and C—H⋯π interactions between symmetry-related molecules are observed. The contribution of the disordered solvent was removed from the refinement using SQUEEZE in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155]. International Union of Crystallography 2012-05-26 /pmc/articles/PMC3379127/ /pubmed/22719348 http://dx.doi.org/10.1107/S1600536812022301 Text en © Philippe et al. 2012 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 | Metal-Organic Papers Philippe, Elisabeth Manoury, Eric Daran, Jean-Claude (R)-2-[(Dimethylamino)methyl]-1,1′-bis(diphenylphosphinothioyl)ferrocene dichloromethane monsolvate |
title | (R)-2-[(Dimethylamino)methyl]-1,1′-bis(diphenylphosphinothioyl)ferrocene dichloromethane monsolvate |
title_full | (R)-2-[(Dimethylamino)methyl]-1,1′-bis(diphenylphosphinothioyl)ferrocene dichloromethane monsolvate |
title_fullStr | (R)-2-[(Dimethylamino)methyl]-1,1′-bis(diphenylphosphinothioyl)ferrocene dichloromethane monsolvate |
title_full_unstemmed | (R)-2-[(Dimethylamino)methyl]-1,1′-bis(diphenylphosphinothioyl)ferrocene dichloromethane monsolvate |
title_short | (R)-2-[(Dimethylamino)methyl]-1,1′-bis(diphenylphosphinothioyl)ferrocene dichloromethane monsolvate |
title_sort | (r)-2-[(dimethylamino)methyl]-1,1′-bis(diphenylphosphinothioyl)ferrocene dichloromethane monsolvate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379127/ https://www.ncbi.nlm.nih.gov/pubmed/22719348 http://dx.doi.org/10.1107/S1600536812022301 |
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