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(Acetyl-acetonato-?O,O')bis-[5-meth-oxy-2-(naphth[1,2-d][1,3]oxazol-2-yl)phenyl-?C,N]iridium(III).

ABSTRACT: In the title compound, [Ir(C(18)H(12)NO(2))(2)(C(5)H(7)O(2))], the Ir atom is O,O'-chelated by the acetyl-acetonate group and C,N-chelated by the 2-aryl-naphth[1,2-d]oxazole groups. The six-coordinate metal atom displays a distorted octa-hedral geometry. Intra-molecular C-H?O hydrogen bonds occur. In the crystal, inter-molecular C-H?O hydrogen bonds link the mol-ecules into columns parallel to the b axis.

SUBMITTER: Li S

PROVIDER: S-EPMC3201473 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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(Acetyl-acetonato-κO,O')bis-[5-meth-oxy-2-(naphth[1,2-d][1,3]oxazol-2-yl)phenyl-κC,N]iridium(III).

Li Song S Yin Guo-Jie GJ Wang Shi-Min SM Zhou Yuan-Yuan YY

Acta crystallographica. Section E, Structure reports online 20110914 Pt 10

In the title compound, [Ir(C(18)H(12)NO(2))(2)(C(5)H(7)O(2))], the Ir atom is O,O'-chelated by the acetyl-acetonate group and C,N-chelated by the 2-aryl-naphth[1,2-d]oxazole groups. The six-coordinate metal atom displays a distorted octa-hedral geometry. Intra-molecular C-H⋯O hydrogen bonds occur. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into columns parallel to the b axis. ...[more]

PMID: 22065644

Similar Datasets

(Acetyl-acetonato-?O,O')bis-[2-(naphth[1,2-d][1,3]oxazol-2-yl)phenyl-?C,N]iridium(III).

Project description:In the crystal structure of the title compound, [Ir(C(17)H(10)NO)(2)(C(5)H(7)O(2))], the Ir(III) atom is O,O'-chelated by the acetyl-acetonate group and C,N-chelated by the 2-aryl-naphth[1,2-d]oxazole groups. The six-coordinate metal atom displays a distorted octa-hedral geometry.

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4-[(3-Meth-oxy-anilino)methyl-idene]-2-phenyl-1,3-oxazol-5(4H)-one.

Project description:In the title compound, C(17)H(14)N(2)O(3), the oxazolone ring is essentially planar [maximum deviation = 0.004 (1) Å] and is oriented with respect to the phenyl and benzene rings at 10.06 (9) and 5.63 (8)°, respectively; the dihedral angle between the phenyl ring and the benzene ring is 15.69 (8)°. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into chains running along the a axis. Neighbouring chains are inter-connected by π-π stacking, the centroid-centroid distance being 3.6201 (9) Å.

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[2,6-Bis(5-eth-oxy-1,3-oxazol-2-yl)-4-meth-oxy-phenyl-?(3) N,C (1),N']bromidopalladium(II).

Project description:In the title compound, [PdBr(C17H17N2O5)], the Pd(II) atom is coordinated by an N,C(1),N'-tridentate pincer ligand and a Br atom in a distorted square-planar geometry. In the crystal, mol-ecules are connected by C-H?Br and C-H?O hydrogen bonds, and ?-? inter-actions between the oxazole and benzene rings [centroid-centroid distance = 3.7344?(19)?Å], resulting in a three-dimensional supra-molecular structure.

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(2-Meth-oxy-1,3-phenyl-ene)diboronic acid.

Project description:The mol-ecular structure of the title compound, 2-CH(3)O-C(6)H(3)-1,3-[B(OH)(2)](2) or C(7)H(10)B(2)O(5), features two intra-molecular O-H⋯O hydrogen bonds of different strengths. One of the boronic acid groups is almost coplanar with the aromatic ring, whereas the second is significantly twisted. Mol-ecules are linked by inter-molecular O-H⋯O hydrogen bonds, generating infinite chains cross-linked to form a two-dimensional sheet structure aligned parallel to the (01) plane.

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2,2'-[4-Acetyl-1,3-phenyl-enebis(-oxy)]diacetic acid.

Project description:In the title compound, C12H12O7, the dihedral angles between the benzene ring and the mean planes of the 3-carb-oxy-meth-oxy, 1-carb-oxy-meth-oxy and acetyl substituents are 8.67?(7), 7.81?(6) and 10.3?(18)°, respectively. In the crystal, mol-ecules are linked by typical carb-oxy-lic acid O-H?O hydrogen bonds, forming a zigzag chain. C-H?O inter-actions also occur.

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4-{[(4Z)-5-Oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl-idene]meth-yl}phenyl acetate.

Project description:The title mol-ecule, C(18)H(13)NO(4), shows a dihedral angle between the terminal acetyl group (r.m.s. deviation = 0.0081?Å) and remaining non-H atoms (r.m.s. = 0.0734?Å) of 53.45?(7)°. The configuration about the central olefinic bond is Z and overall the mol-ecule has a U-shaped conformation. Supra-molecular chains along the b-axis direction are found in the crystal structure. These are stabilized by (C=O)??(ring centroid of the 1,3-oxazole ring) inter-actions [3.370?(2)?Å].

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5-(3-Meth-oxy-phen-yl)-3-phenyl-1,2-oxazole.

Project description:In the title compound, C16H13NO2, the isoxazole ring makes dihedral angles of 17.1 (1)° with the 3-meth-oxy-phenyl ring and 15.2 (1)° with the phenyl group. Centrosymmetric dimers that are realised by pairs of C-H⋯π inter-actions are observed in the crystal structure.

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(Acetyl-acetonato-?O,O')bis-[2-(5-methyl-3-phenyl-pyrazin-2-yl-?N)phen-yl-?C]iridium(III).

Project description:In the title complex, [Ir(C(17)H(13)N(2))(2)(C(5)H(7)O(2))], the Ir(III) atom is hexa-coordinated in a distorted octa-hedral geometry by two C,N-bidentate 2-(5-methyl-3-phenyl-pyrazin-2-yl)phenyl (mdpp) ligands and one O,O-bidentate acetyl-acetonate ligand. The dihedral angles between the phenyl rings and the pyrazine ring are 9.56?(14) and 58.99?(14)° for one mdpp ligand and 9.34?(14) and 79.94?(15)° for the other.

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Bis(acetyl-acetonato-?O,O')-aqua-(diacetyl-methanido-?C)iridium(III).

Project description:In the crystal structure of the title compound, [Ir(C(5)H(7)O(2))(3)(H(2)O)], the Ir(III) atom is six-coordinated and situated in a slightly distorted octa-hedral environment. The complex contains both Ir-O and Ir-C bonds and was isolated from a reaction mixture of IrCl(3)(H(2)O)(x), pentane-2,5-dione and NaHCO(3). O-H?O hydrogen bonding between the water molecules and the carbonyl O atoms of adjacent molecules leads to a layered motif extending parallel to (010).

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4-[(2,4-Dimethyl-1,3-oxazol-5-yl)meth-yl]-4-hydr-oxy-2-methyl-isoquinoline-1,3(2H,4H)-dione.

Project description:In the title isoquinolinedione derivative, C(16)H(16)N(2)O(4), the piperidine ring in the tetra-hydro-isoquinoline unit adopts a half-boat conformation. The essentially planar oxazole ring [maximum deviation = 0.004 (2) Å] is inclined at a dihedral angle of 36.00 (8)° to the tetra-hydro-isoquinoline unit. In the crystal structure, pairs of inter-molecular C-H⋯O and O-H⋯N inter-actions link the mol-ecules into chains incorporating R(2) (2)(9) ring motifs. Two neighbouring chains are further inter-connected by inter-molecular C-H⋯O inter-actions into chains two mol-ecules wide along the a axis.

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