(R C,S Fe)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-{1-[2-(diphenylphosphanyl)ferrocenyl]ethyl}thiourea (unknown solvate)
نویسندگان
چکیده
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 uninterpretable. The solvent contribution to the structure factors was taken into account by back-Fourier transformation of all density found in the disordered solvent area using the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155]. The formula mass and density do not take account of the solvent.
منابع مشابه
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)(6-methoxyquinolin-4-yl)methyl]thiourea–l-proline–methanol (1/1/1)1
In the methanol solvate of the title 1:1 cocrystal, C(29)H(28)F(6)N(4)OS·C(5)H(9)NO(2)·CH(4)O, the l-proline mol-ecule exists as a zwitterion. In the crystal, the disubstituted thio-urea, l-proline and methanol mol-ecules are linked by N-H⋯O and N-H⋯N hydrogen bonds, forming a two-dimensional array in the ab plane.
متن کامل(R p)-1-{(R)-(Dimethylamino)[2-(diphenylphosphanyl)phenyl]methyl}-2-(diphenylphosphanyl)ferrocene chloroform solvate
The absolute configuration of the title mol-ecule, [Fe(C(5)H(5))(C(38)H(34)NP(2))]·CHCl(3), is R,R(p). The mol-ecular structure is similar to the structure of the solvent-free compound [Fukuzawa, Yamamoto & Kikuchi (2007 ▶). J. Org. Chem. 72, 1514-1517], but some torsion angles about the P-C(phen-yl) bonds differ by up to 25°. The P atoms and the N atom have a distorted trigonal-pyramidal geome...
متن کامل1-[3,5-Bis(trifluoromethyl)phenyl]-3-(2-pyridyl)thiourea
The title compound, C(14)H(9)F(6)N(3)S, exhibits a nearly planar conformation in the solid state, with a dihedral angle between the planes of the benzene and pyridine rings of 14.86 (3)°. The pyridine N atom allows for the formation of a six-membered N-H⋯N(py) hydrogen-bonded ring, thus forcing the two amide H atoms of the thio-urea group to point in opposite directions. The second N-H group fo...
متن کامل{Bis[2-(diphenylphosphanyl)ethyl]phenylphosphane-κ3 P,P′,P′′}[(Z)-8-mesitylcyclooct-4-en-1-yl]platinum(II) tetrafluoridoborate dichloromethane disolvate
In the title ionic compound, [Pt(C(17)H(23))(C(34)H(33)P(3))](BF(4))·2CH(2)Cl(2), the Pt(II) atom adopts a square-planar coordination geometry with the large (Z)-8-mesityl-cyclo-oct-4-en-1-yl group occupying the fourth coordination site. The (triphos)Pt moiety and the mesityl group are attached to the cyclo-oct-4-ene motif at the 1- and 8-position in a syn configuration. The (BF(4))(-) anion an...
متن کامل(S)-1-[3,5-Bis(trifluoromethyl)phenyl]-N-methylethylamine–(R)-2-hydroxybutanedioic acid (1/1)
In the title compound, C(11)H(11)F(6)N·C(4)H(6)O(5), a key inter-mediate in the synthesis of the NK1 receptor antagonist of casopitant, the F atoms of the trifluoro-methyl groups are disordered over two sites with equal occupancies. In the crystal, the components are linked by bifurcated N-H⋯(O,O) hydrogen bonds.
متن کامل