(R C,S Fe)-1-[3,5-Bis(trifluoro-meth-yl)phen-yl]-3-{1-[2-(diphenyl-phosphan-yl)ferro-cen-yl]eth-yl}thio-urea (unknown solvate).

ABSTRACT: In the molecule of the the title compound, [Fe(C5H5)(C28H22F6N2PS)], the absolute configuration is R C ,SFe . The dihedral angle between the trifluoro-methyl-substituted phenyl ring and the thio-urea plane is 41.8 (9)°. The iron atom is bound to the cyclo-penta-dienyl rings in the typical η(5)-manner in a close to eclipsed conformation. The crystal structure features N-H⋯S hydrogen bonds, with the S atom as an acceptor for both N-H groups, forming a layered arrangement parallel to (1-10). The two -CF3 groups are each disordered over two positions with refined occupancy rates for the major components of 0.66 (7) and 0.55 (5). The crystal was grown from mixed solvents (n-hexane and ethyl acetate). These solvents are disordered in the crystal and the resulting electron density was found to be

SUBMITTER: Ma PF 

PROVIDER: S-EPMC3647794 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature