(R)-2-[(Dimethylamino)methyl]-1,1′-bis(diphenylphosphinothioyl)ferrocene dichloromethane monsolvate

• Main Authors: Elisabeth Philippe, Eric Manoury, Jean-Claude Daran
• Format: Article
• Language: English
• Published: International Union of Crystallography 2012-06-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536812022301

In the title compound, [Fe(C20H21NPS)(C17H14PS)]·CH2Cl2, 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].