nan Bala

4,6-Bis(diphenyl­phosphino)phenoxazine (nixantphos)

The title compound, C36H27NOP2, has been reported as a ligand on rhodium for the catalysis of hydroformylation reactions. The key feature of the compound is the intramolecular P⋯P distance of 4.255u2005(2)u2005Å. The bond angles at the P atoms range from 99.93u2005(10) to 103.02u2005(10)°. The phenoxazine ring system is essentially planar and a non-crystallographic mirror plane through the N⋯O vector bisects the molecule. The C—O bond lengths range from 1.388u2005(2) to 1.392u2005(2)u2005Å and the C—N bond lengths range from 1.398u2005(3) to 1.403u2005(3)u2005Å.

A P,O,P′-tridentate mixed-donor scorpionate ligand: 6-[4,6-bis­(diphenyl­phosphino)-10H-phenoxazin-10-yl]hexan-1-ol

The title compound, C42H39NO2P2, is a P,O,P′-tridentate scorpionate-type ligand and has one molecule in the asymmetric unit. The angles involving the P atoms range from 100.21u2005(7) to 104.89u2005(7)°. The N-hexanol group was found to be disordered and was refined over two positions with final occupancies of 0.683u2005(3) and 0.317u2005(3) which affected the C—O and C—N bond lengths. The bond lengths for C—O range from 1.402u2005(2) to 1.415u2005(2)u2005Å and for C—N from 1.410u2005(2) to 1.448u2005(3)u2005Å for the major disorder component; the corresponding ranges for the minor disorder component are 1.429u2005(3)–1.408u2005(3) and 1.474u2005(3)–1.474u2005(4)u2005Å.

Substitutional disorder in the substituted nixantphos ligand C39H32Br0.27Cl0.73NOP2

The structure of 10-(3-bromo/chloropropyl)-4,6-bis(diphenylphosphino)-10H-phenoxazine, C39H32Br0.27Cl0.73NOP2, shows chloro/bromo substitutional disorder in a 3:1 ratio. For application as a ligand in catalysis, the intramolecular P⋯P distance of 4.263u2005(2)u2005Å is relevant. The phenoxazine ring system is essentially planar.

1-[4-(1H-imidazol-1-yl)phen­yl]ethanone monohydrate

In the crystal structure of the title compound, C11H10N2O·H2O, the solvent water molecule links the organic molecules through O—H⋯O and O—H⋯N hydrogen bonds, forming chains that run diagonally across the bc face. These chains are connected to adjacent chains through weak C—H⋯O interactions, resulting in hydrogen-bonded sheets extending along the b and c axes. The sheets are connected along the a axis through π–π interactions, with centroid–centroid distances of 3.7571u2005(9) and 3.7231u2005(9)u2005Å.

1-(6-Ferrocenylhex­yl)-1H-imidazole

The title compound, [Fe(C5H5)(C14H19N2)], is characterized by a ferrocenyl group separated from an imidazole functionality by a straight-chain hexyl unit. The two cyclopentadienyl rings of the ferrocenyl group show a marginal inward tilt of 2.17u2005(2)°. The imidazole unit, which is essentially planar (with a maximum deviation of 0.007u2005A for one of the N atoms) and tilted away from the ferrocenyl group [dihedral angle between the substituted ferrocenyl ring and the imidazole = 122.6u2005(1)°], is involved in intermolecular C—H⋯N interactions.

1,3-Bis(2,6-diisopropyl-phen-yl)-4,5-dihydro-1H-imidazol-3-ium triiodide.

In the crystal structure of the title compound, C27H39N2 +·I3 −, the imidazolidinium ring is perpendicular to a mirror plane which bisects the cation. The dihedral angle between the imidazolidinium ring and the benzene ring is 89.0u2005(2)°. The triiodide anion also lies on a mirror plane and is almost linear with an I—I—I bond angle of 178.309u2005(18)°.

1-Ferrocenylmeth­yl-1H-imidazole

In the title compound, [Fe(C5H5)(C9H9N2)], the distances of the Fe atom from the centroids of the unsubstituted and the substituted cyclopentadienyl (cp) rings are 1.639u2005(1) and 1.647u2005(1)u2005Å, respectively. The ferrocenyl unit deviates from an eclipsed geometry with tilted cp rings; the interplanar angle between the cp and imidazole rings is 114.11u2005(4)°.

1-(4-Bromo-phen-yl)ferrocene.

In the title compound, [Fe(C5H5)(C11H8Br)], the distance of the Fe atom from the centroids of the unsubstituted and substituted cyclopentadienyl (Cp) rings is 1.644u2005(1) and 1.643u2005(1)u2005Å, respectively. The ferrocenyl moiety deviates from an eclipsed geometry, with marginally tilted Cp rings and an interplanar angle between the Cp and benzene rings of 13.0u2005(4)°. The crystal structure is stabilized by C—H⋯π interactions between a cyclopentadienyl H atom and the cyclopentadienyl ring of a neighbouring molecule.

1-(4-Nitro-phen-yl)-1H-imidazol-3-ium chloride.

In the title salt, C9H8N3O2 +·Cl−, the least-squares planes of the imidazolium and benzene rings are almost coplanar, making a dihedral angle of 4.59u2005(1)°. In the crystal, the chloride anion links the organic molecules through N—H⋯Cl hydrogen bonds, forming chains that run diagonally across the bc face, which compliment strong C—H⋯O hydrogen bonds between neighbouring molecules. These chains are connected to adjacent chains through two weak C—H⋯Cl interactions, resulting in hydrogen-bonded sheets extending along the b and c axes. The absolute structure of the title compound was determined using a Flack x parameter of 0.00u2005(6) and a Hooft y parameter of 0.03u2005(2).

4,6-Bis(diphenyl­phosphan­yl)dibenzo[b,d]furan

The asymmetric unit of the title compound, C36H26OP2, comprises two molecules which have slightly different conformations of the phenyl ring substituents. In both molecules, the dibenzofuran unit is close to being planar, with dihedral angles of 3.20u2005(3) and 1.86u2005(2)° for the two molecules. Its planarity affects the intramolecular distances between P atoms, with P⋯P distances of 5.574u2005(2) and 5.485u2005(2)u2005Å for the two molecules.