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(S)-1-Diphenyl-phosphanyl-2-{(S)-[2-(diphenyl-phosphan-yl)phen-yl]hydroxy-meth-yl}ferrocene.

ABSTRACT: The absolute configuration of the title compound, [Fe(C(5)H(5))(C(36)H(29)OP(2))], is S(p) at the ferrocene group and S at the asymmetric C atom. Both P atoms have a trigonal-pyramidal conformation. There is a short intra-molecular C-H⋯P contact with an H⋯P distance of 2.56 Å. The hydr-oxy group is involved in an intra-molecular O-H⋯π(phen-yl) inter-action. The crystal packing shows five very weak inter-molecular C-H⋯π contacts, with H⋯Cg distances between 3.26 and 3.39 Å (Cg is the centroid of a phenyl or cyclo-penta-dienyl ring).

SUBMITTER: Bats JW

PROVIDER: S-EPMC2959966 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1,1'-Bis[bis-(4-meth-oxy-phen-yl)phosphan-yl]ferrocene.

Project description:In the crystal structure of the title substituted ferrocene complex, [Fe(C₁₉H₁₈O₂P)₂], the Fe(II) atom lies on a twofold rotation axis, giving an eclipsed cyclo-penta-dienyl conformation with a ring centroid separation of 3.292 (7) Å and an Fe-C bond-length range of 2.0239 (15)-2.0521 (15) Å. In the ligand, the cyclo-penta-dienyl ring forms dihedral angles of 60.36 (6) and 82.93 (6)° with the two benzene rings of the diphenyl-phosphine group, while the dihedral angle between the benzene rings is 67.4 (5)°.

| S-EPMC3393188 | biostudies-literature

(R(p))-1-{(R)-(Dimethyl-amino)[2-(diphenyl-phosphan-yl)phen-yl]methyl}-2-(diphenyl-phosphan-yl)ferrocene chloro-form solvate.

Project description: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 geometry. The chloro-form solvate group donates a C-H⋯π bond to the central benzene ring and is also involved in six inter-molecular C-H⋯Cl contacts with H⋯Cl distances between 2.96 and 3.13 Å.

| S-EPMC2959829 | biostudies-literature

N-Diphenyl-phosphanyl-N-{[diphen-yl(2-pyridyl-imino)-?-phosphan-yl]meth-yl}pyridin-2-amine.

Project description:In the title compound, C(35)H(30)N(4)P(2), the diphenyl-phosphanyl and diphen-yl(2-pyridyl-imino)-?(5)-phosphanyl groups are attached to the central methyl C atom with a P-C-N angle of 114.09?(16)°. The mol-ecules stack along the b axis and inter-connect through C-H(pyrid-yl)?N(pyrid-yl) inter-actions, forming an infinite chain structure. The parallel chains are further inter-connected via C-H(benzene)?N(amino) and C-H(benzene)?? inter-actions, forming a three-dimensional framework.

| S-EPMC3201310 | biostudies-literature

rac-Dichlorido(1-{(diphenyl-phosphan-yl)[2-(diphenyl-phosphan-yl)phen-yl]meth-yl}ferrocene-?P,P')palladium(II) dimethyl sulfoxide disolvate.

Project description:The racemic title compound, [FePdCl(2)(C(5)H(5))(C(36)H(29)P(2))]·2(CH(3))(2)SO, features a Pd-chelating 1,3-diphosphine, which is substituted at a P-bearing asymmetric C atom by a ferrocenyl group. The Pd(II) atom is in a distorted quadratic coordination by two P and two Cl atoms with bond lengths of 2.2414?(3) and 2.2438?(3)?Å for Pd-P, and 2.3452?(3) and 2.3565?(3)?Å for Pd-Cl. The conformation of the Pd complex is controlled by an intra-molecular slipped ?-? stacking inter-action between a phenyl and a cyclo-penta-dienyl ring with corresponding C?C distances starting at 3.300?(2)?Å and the distance between ring centroids being 3.674?(2)?Å. The crystal structure is stabilized by C-H?Cl and C-H?O hydrogen bonds. The (CH(3))(2)SO solvent mol-ecules are arranged in layers parallel to (101) and are linked in pairs by C-H?O inter-actions. One (CH(3))(2)SO mol-ecule is orientationally disordered [occupancy ratio 0.8766?(17):0.1234?(17)] with sulfur in two positions at both sides of its C(2)O triangle.

| S-EPMC3201499 | biostudies-other

1-(Diphenyl-phosphinothio-yl)-2-[(4-methyl-phen-yl)meth-oxy-meth-yl]ferrocene.

Project description:Following our continuing inter-est in developing new chiral phosphine-containing ferrocenyl ligands, we synthesized the title compound, [Fe(C(5)H(5))(C(26)H(24)OPS)], in which there are two nearly identical mol-ecules in the asymmetric unit. The conformation of the cyclo-penta-dienyl (Cp) rings in each ferrocenyl group are inter-mediate between eclipsed and staggered, with twist angles of 16.6?(2) and 8.9?(2)°. The protecting S atom is located endo with respect to the substituted Cp ring. In the crystal, mol-ecules are connected through inter-molecular C-H?? inter-actions.

| S-EPMC3009340 | biostudies-literature

[1,1'-Bis(diphenyl-phosphan-yl)ferrocene-?P,P']dichloridocadmium(II) dichloro-methane disolvate.

Project description:In the title complex, [CdFe(C(17)H(14)P)(2)Cl(2)]·2CH(2)Cl(2), the Cd(II) atom has a distorted tetra-hedral coordination geometry by two chloride anions and two P atoms of 1,1'-bis-(diphenyl-phosphan-yl)ferrocene. In the crystal, complex mol-ecules are linked into a three-dimensional network by C-H?Cl hydrogen bonds involving the dichloro-methane solvent mol-ecules.

| S-EPMC3011616 | biostudies-literature

[μ(2)-Bis(diphenyl-phosphanyl)methane][μ(3)-bis-(diphenyl-phosphanyl)meth-yl]trichlorido-tetra-gold(I) tetra-hydro-furan disolvate.

Project description:The title tetra-nuclear complex, [Au(4)(C(25)H(21)P(2))Cl(3)(C(25)H(22)P(2))]·2C(4)H(8)O, features two non-equivalent Ph(2)PCPPh(2) fragments, one of which represents the 'complete' mol-ecule (with two H atoms at the central C atom); each of the two P atoms of this mol-ecule is coordinated by an Au atom [Au-P = 2.2256 (13) and 2.2710 (13) Å], and these two Au atoms form an Au-Au bond [3.2945 (3) Å], thus closing the five-membered Au(2)P(2)C ring. The first of these Au atoms has a terminal chlorido ligand [Au-Cl = 2.2806 (12) Å], whereas the second Au atom forms a covalent bond with the central C atom of the bis-(diphenyl-phosphino)methyl group [Au-C = 2.114 (5) Å]; the latter group in turn coordinates with its P atoms the gold atoms of the Cl-Au-Au-Cl group [Au-P = 2.2356 (13) and 2.2338 (13), Au-Au = 3.3177 (3), Au-Cl = 2.3091 (12) and 2.2950 (13) Å], thus closing the second Au(2)P(2)C ring. The two such rings have different chemical functions, but both exhibit envelope conformations. However, the first (with different substituents at the Au atoms) is non-symmetrical with one of the P atoms in the flap position of the envelope; the other one has a conformation with mirror symmetry, and the gold-substituted C atom is displaced by 0.740 (5) Å from the almost exactly planar (r.m.s. deviation = 0.0038 Å) Au(2)P(2) group.

| S-EPMC3051681 | biostudies-literature

1,1'-Bis[bis-(4-tert-butyl-phen-yl)meth-yl]ferrocene.

Project description:The molecule of the title compound, [Fe(C26H31)2], is located on an inversion center. The two cyclopentadienyl rings exhibit a staggered conformation, which results from the bulky bis(4-tert-butylphenyl)methyl substituents situated on opposite sides of the molecule.

| S-EPMC3588715 | biostudies-literature

{2,6-Bis[(diphenyl-phosphan-yl)-oxy]phen-yl-?P,C,P'}iodidonickel(II).

Project description:In the title complex, [Ni(C(30)H(23)O(2)P(2))I], the divalent Ni atom is coordinated by two P atoms and one C atom from the 1,3-bis-[(diphenyl-phosphan-yl)-oxy]benzene ligand; the distorted square-planar geometry is completed by an iodide ligand. The largest distortions from ideal square-planar geometry are reflected in the P-Ni-P angle of 164.20?(2)° and the P-Ni-C angles of 82.09?(6) and 82.11?(6)°. The rather short Ni-C bond length [1.890?(2)?Å] is anti-cipated in light of the much stronger trans influence of the aryl moiety compared to the iodide ligand. The P-bound phenyl rings adopt different orientations to minimize steric repulsion among themselves.

| S-EPMC3100022 | biostudies-literature

(R)-2-[(Dimethyl-amino)-meth-yl]-1,1'-bis-(diphenyl-phosphinothio-yl)ferrocene dichloromethane monsolvate.

Project description:In the title compound, [Fe(C(20)H(21)NPS)(C(17)H(14)PS)]·CH(2)Cl(2), both cyclo-penta-dienyl (Cp) rings constituting the ferrocene unit are substituted by a sulfur-protected diphenyl-phosphine. One of the Cp ligands is additionally substituted by a dimethyl-amino-methyl group causing the chirality of the mol-ecule. Surprisingly, although the synthetic procedure yielded the title compound as a racemic mixture, the reported crystal is enanti-omerically pure with the R absolute configuration. The dimethyl-amino group is exo with respect to the Cp ring. Both diphenyl-thio-phosphine groups are trans with respect to the centroid-Fe-centroid direction. Weak intra-molecular C-H⋯S and C-H⋯π inter-actions between symmetry-related mol-ecules are observed. The contribution of the disordered solvent was removed from the refinement using SQUEEZE in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155].

| S-EPMC3379127 | biostudies-literature

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