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Bis[3,5-difluoro-2-(2-pyrid-yl)phen-yl](picolinato)iridium(III).

ABSTRACT: The Ir centre in the title complex, [Ir(C(11)H(6)F(2)N)(2)(C(6)H(4)NO(2))], is six-coordinated in a slightly distorted octa-hedral IrC(2)N(3)O fashion.

SUBMITTER: Xu ML

PROVIDER: S-EPMC2967875 | biostudies-literature | 2008

REPOSITORIES: biostudies-literature

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Bis[3,5-difluoro-2-(2-pyrid-yl)phen-yl](picolinato)iridium(III).

Xu Mao-Liang ML Che Guang-Bo GB Li Xiu-Ying XY Xiao Qi Q

Acta crystallographica. Section E, Structure reports online 20081210 Pt 1

The Ir centre in the title complex, [Ir(C(11)H(6)F(2)N)(2)(C(6)H(4)NO(2))], is six-coordinated in a slightly distorted octa-hedral IrC(2)N(3)O fashion. ...[more]

PMID: 21581501

Similar Datasets

Bis[3,5-difluoro-2-(4-methyl-pyridin-2-yl)phenyl-κC,N](picolinato-κN,O)iridium(III) chloro-form monosolvate.

Project description:In the title complex, [Ir(C(12)H(8)F(2)N)(2)(C(6)H(4)NO(2))]·CHCl(3), two similar mol-ecules of each component comprise the asymmetric unit. The independent complex mol-ecules are linked by inter-molecular π-π inter-actions [centroid-centroid distance = 3.830 (4) Å]. The Ir(III) ion adopts a distorted octa-hedral geometry, being coordinated by three N atoms, two C atoms, and one O atom of three bidentate ligands, with the N atoms arranged meridionally.

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(3-Allyl-oxypicolinato-?N,O)bis-[3,5-difluoro-2-(2-pyrid-yl)phenyl-?C,N]iridium(III).

Project description:The title complex, [Ir(C(11)H(6)F(2)N)(2)(C(9)H(8)NO(3))], consists of one Ir(III) ion, two C,N-bidentate 3,5-difluoro-2-(2-pyrid-yl)phenyl (F(2)ppy) ligands and one N,O-bidentate 3-allyl-oxypicolinate (pic-3-Oall) ligand. The Ir(III) ion is hexa-coordinated by two C atoms and two N atoms from the F(2)ppy ligands and one N atom and one carboxyl-ate O atom from the pic-3-Oall ligand, displaying a distorted octa-hedral geometry. In the crystal structure, weak inter-molecular C-H?F and C-H?O hydrogen bonds link the complex mol-ecules into a three-dimensional supra-molecular structure.

| S-EPMC2971841 | biostudies-other

mer-Bis[3,5-difluoro-2-(2-pyrid-yl)phenyl-?C,N]{5-(2-pyridyl-?N)-3-[3-(4-vinyl-benz-yloxy)phen-yl]-1,2,4-triazol-1-ido}iridium(III) methanol solvate.

Project description:In the title compound, [Ir(C(11)H(6)F(2)N)(2)(C(22)H(17)N(4)O)]·CH(3)OH, the coordination at iridium is essentially octa-hedral, but with distortions associated with the bite angles of the ligands [76.25?(9)-80.71?(12)°] and the differing trans influences of C and N ligands [Ir-N = 2.04?Å (average) trans to N but 2.14?Å trans to C]. All three bidentate ligands have coordinating ring systems that are almost coplanar [inter-planar angles = 1.7?(1)-3.8?(2)°]. The vinyl-benzyl group is disordered over two positions with occupations of 0.653?(4) and 0.347?(4). The methanol solvent mol-ecule is involved in a classical O-H?N hydrogen bond to a triazole N atom.

| S-EPMC2980050 | biostudies-literature

Aqua-(benzamidato-?N)bis-[3,5-difluoro-2-(pyridin-2-yl)phenyl-?C]iridium(III) methanol monosolvate.

Project description:In the title compound, [Ir(C(11)H(6)F(2)N)(2)(C(7)H(6)NO)(H(2)O)]·CH(3)OH, the Ir(III) ion adopts an octa-hedral geometry, and is coordinated by two 3,5-difluoro-2-(pyridin-2-yl)phenyl ligands, one mol-ecule of water and one benzamidate anion. The two 2-(4,6-difluoro-phen-yl)pyridyl ligands are arranged in a cis-C,C' and trans-N,N' fashion. Additionally, there is a bystanding methanol mol-ecule outside the coordination sphere of the Ir(III) ion. In the crystal, mol-ecules of the title compound are linked by O-H?O and O-H?N hydrogen bonds. One F atom of each ligand is equally disordered over two sites. The C atom of the solvent molecule is likewise disordered over two sites in a 0.589?(11):0.411?(11) ratio.

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The crystal structure of bis-{3,5-di-fluoro-2-[4-(2,4,6-tri-methyl-phen-yl)pyridin-2-yl]phen-yl}(picolinato)iridium(III) and its 4-<i>tert</i>-butyl-pyridin-2-yl analogue.

Project description:The crystal structures of bis-{3,5-di-fluoro-2-[4-(2,4,6-tri-methyl-phen-yl)pyridin-2-yl]phenyl-?2 N,C 1}(picolinato-?2 N,O)iridium(III), [Ir(C20H16F2N)2(C6H4NO2)], 1, and bis-[2-(4-tert-butyl-pyridin-2-yl)-3,5-di-fluoro-phenyl-?2 N,C 1](picolinato-?2 N,O)iridium(III), [Ir(C15H14F2N)2(C6H4NO2)], 2, are presented herein. These phospho-rescent cyclo-metallated iridium(III) compounds have been structurally investigated in order to better understand the nature of their blue-shifted emssions while maintaining high quantum yields. Compound 1 exhibits substantial twisting of the mesitylene rings out of the plane of the attached pyridine ring, with dihedral angles of 67.0?(1) and 78.7?(1)° between the best mean planes. For both compounds, the contribution of disordered solvent mol-ecule(s) was removed using the SQUEEZE [Spek (2015 ?). Acta Cryst. C71, 9-18] routine in PLATON [Spek (2015 ?). Acta Cryst. C71, 9-18]. These solvent mol-ecules are not considered in the given chemical formula and other crystal data.

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1-[3,5-Bis(trifluoro-meth-yl)phen-yl]-3-(2-pyrid-yl)thio-urea.

Project description: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 forms an inter-molecular N-H⋯S hydrogen bond with the S atom of an adjacent mol-ecule. The F atoms of the two trifluoro-methyl groups display rotational disorder around the C-CF(3) axis, with an occupancy ratio of 0.54 (1):0.46 (1).

| S-EPMC2961226 | biostudies-literature

5,10,15,20-Tetra-kis(3,5-difluoro-phen-yl)porphyrin.

Project description:The crystal structure of the title compound, C(44)H(22)F(8)N(4), shows an unusual non-planar geometry of the porphyrin ring although the mol-ecule is free of steric crowding around the periphery of the macrocycle. The mol-ecular packing exhibits weak inter-molecular hydrogen bonding (C-H⋯F) and C-H⋯π inter-actions. The molecular symmetry is .

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Bis[3,5-di-fluoro-2-(pyridin-2-yl)phen-yl](4,4'-di-meth-oxy-2,2'-bi-pyridine)-iridium(III) hexa-fluorido-phosphate.

Project description:The title cyclo-metalated distorted octa-hedral iridium complex, [Ir(C11H6F2N)2(C12H12N2O2)]PF6, exhibits elongated Ir-N bonds to the dimeth-oxy bi-pyridine ligand [2.128 (3) and 2.136 (3) Å] where these nitro-gen atoms are trans to the Ir-C bonds of the two cyclo-metalating di-fluoro-phenyl-pyridine ligands. The angles between the mean planes of the phenyl and pyridyl fragments within the individual ligands range from 3.5 (2) to 11.4 (2)° to deviate slightly from coplanarity.

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1-[2-(3,5-Difluoro-benz-yloxy)phen-yl]ethanone.

Project description:In the title compound, C(15)H(12)F(2)O(2), the dihedral angle between the aromatic rings is 70.43 (4)°. The crystal packing exhibits no significantly short inter-molecular contacts.

| S-EPMC3008130 | biostudies-literature

Bis[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato]manganese(II) trihydrate.

Project description:In the title complex, [Mn(C(11)H(10)N(3)O(2))(2)]·3H(2)O, the Mn(II) atom is coordinated by four N atoms and two O atoms in a distorted octa-hedral geometry. The mol-ecules are linked together via hydrogen bonds involving the water molecules. One of these is disordered equally over two positions.

| S-EPMC2914962 | biostudies-literature

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