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

ABSTRACT: 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 ?-? 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.

SUBMITTER: Kim YI

PROVIDER: S-EPMC3200786 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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.

| S-EPMC3297261 | biostudies-literature

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

Project description: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.

| S-EPMC2967875 | biostudies-literature

(5-Methyl-pyrazine-2-carboxyl-ato-κ(2) N (1),O)bis-[2-(4-methyl-pyridin-2-yl-κN)-3,5-bis-(tri-fluoro-meth-yl)phenyl-κC (1)]iridium(III) chloro-form hemisolvate.

Project description:In the title complex, [Ir(C14H8F6N)2(C6H5N2O2)]·0.5CHCl3, the Ir(III) atom adopts a distorted octa-hedral geometry, being coordinated by three N atoms (arranged meridionally), two C atoms and one O atom of three bidentate ligands. The complex mol-ecules pack with no specific inter-molecular inter-actions between them. The SQUEEZE procedure in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155] was used to model a disordered chloro-form solvent mol-ecule; the calculated unit-cell data allow for the presence of half of this mol-ecule in the asymmetric unit.

| S-EPMC3998247 | biostudies-literature

Chloro({2-[mesityl(quinolin-8-yl-κN)boryl]-3,5-dimethyl-phenyl}methyl-κC)palladium(II) as a catalyst for Heck reactions.

Project description:We recently reported an air and moisture stable 16-electron borapalladacycle formed upon combination of 8-quinolyldimesitylborane with bis(benzonitrile)dichloropalladium(II). The complex features a tucked mesityl group formed upon metalation of an ortho-methyl group on a mesityl; however it is unusually stable due to contribution of the boron pz orbital in delocalizing the carbanion that gives rise to an η4-boratabutadiene fragment coordinated to Pd(II), as evidenced from crystallographic data. This complex was observed to be a highly active catalyst for the Heck reaction. Data of the catalyst activity are presented alongside data found in the literature, and initial comparison reveals that the borapalladacycle is quite active. The observed catalysis suggests the borapalladacycle readily undergoes reductive elimination; however the Pd(0) complex has not yet been isolated. Nevertheless, the ambiphilic ligand 8-quinolyldimesitylborane may be able to support palladium in different redox states.

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3,5-Difluoro-phenyl phenyl sulfone.

Project description:In the title compound, C(12)H(8)F(2)O(2)S, which is a precursor of functionalised poly(aryl-ene ether sulfone) polymers, the dihedral angle between the aromatic ring planes is 84.43?(8)°. In the crystal structure, aromatic ?-? stacking [centroid-centroid separations = 3.808?(3) and 3.867?(3)?Å] helps to establish the packing. A short C-H?F contact also occurs.

| S-EPMC2959527 | biostudies-other

Crystal structure of {(E)-2-[(phenyl-imino)-meth-yl]phenolato-?(2) N,O}bis-[2-(pyridin-2-yl)phenyl-?(2) C (1),N]iridium(III) di-chloro-methane monosolvate.

Project description:In the title compound, [Ir(C11H8N)2(C13H10NO)]·CH2Cl2, the Ir(III) ion is six-coordinated by two C,N-bidentate 2-(pyridin-2-yl)phenyl ligands and one N,O-bidentate 2-[(phenyl-imino)-meth-yl]phenolate anion, giving rise to a distorted octa-hedral environment. The C,N-bidentate ligands, in which the C and N atoms are statistically disordered over two sites and therefore both pairs of C and N atoms are trans and cis relative to each other, are almost perpendicular to each other [the dihedral angle between the least-square planes is 87.00?(4)°]. An intra-molecular C-H?O hydrogen bond, as well as inter-molecular C-H?? inter-actions and ?-? inter-actions, contribute to the stabilization of the mol-ecular and crystal structure.

| S-EPMC4908569 | biostudies-literature

Crystal structure of [5-bromo-2-(pyridin-2-yl-κN)phenyl-κC (1)](pentane-2,4-dionato-κ (2) O,O')platinum(II).

Project description:The title cyclo-metalated platinum(II) complex with 2-(4-bromo-phen-yl)pyridinato and acetyl-acetonato ligands, [Pt(C11H7BrN)(C5H7O2)], consists of two crystallographically non-equivalent dimers, each stacked by π-π inter-actions with distances of ≃ 3.4 Å. In both dimers, the platinum(II) complexes are arranged anti-parallel to each other. Each complex exhibits a slightly distorted square-planar coordination environment around the central Pt(II) atom. The dihedral angles between two chelate rings including the Pt(II) atom in these complexes are 0.08 (12) and 1.54 (9)°.

| S-EPMC4647431 | biostudies-literature

mer-Bis[2-(1,3-benzothiazol-2-yl)phenyl-κC,N][3-phenyl-5-(2-pyridyl)-1,2,4-triazol-1-ido-κN,N]iridium(III) deuterochloro-form 3.5-solvate.

Project description:In the title compound, [Ir(C(13)H(9)N(4))(C(13)H(8)NS)(2)]·3.5CDCl(3), the coordination at iridium is octa-hedral, but with narrow ligand bite angles. The bond lengths at iridium show the expected trans influence, with the Ir-N bonds trans to C being appreciably longer than those trans to N. The chelate rings are mutually perpendicular, the inter-planar angles between them all lying within 6° of 90°. All ligands are approximately planar; the maximum inter-planar angles within ligands are ca 10°. The three ordered deuterochloro-form mol-ecules are all involved in C⋯D-A contacts that can be inter-preted as hydrogen bonds of various types. The fourth deuterochloroform is disordered over an inversion centre.

| S-EPMC3007894 | biostudies-literature

(E)-4-Chloro-2-{[4-(3,5-dichloro-pyridin-2-yl-oxy)phenyl-imino]-meth-yl}phenol.

Project description:In the title mol-ecule, C(18)H(11)Cl(3)N(2)O(2), the central benzene ring is oriented at 8.44?(12) and 70.57?(11)° with respect to the terminal chloro-phenol and dichloro-pyridine rings, respectively. The mol-ecular structure is stabilized by an intra-molecular O-H?N hydrogen bond, which generates an S(6) ring motif. In the crystal, ?-? stacking between parallel pyridine rings is observed [centroid-centroid distance = 3.6561?(14)?Å].

| S-EPMC3247386 | biostudies-literature

(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

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