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Di-?-oxido-bis-({2,2'-[ethane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenolato}titanium(IV)) chloro-form disolvate.

ABSTRACT: In the title compound, [Ti2(C16H14N2O2)2O2]·2CHCl3, the Ti(IV) atom in the centrosymmetric complex has a distorted octa-hedral N2O4 coordination environment and is linked via two ?2-oxido bridges into a dinuclear centrosymmetric com-plex, with a Ti?Ti separation of 2.7794?(8)?Å. In the salen (N,N'-ethyl-enebis(salicyl-imine)) ligand, the two salicyl-imine units make a dihedral angle of 45.31?(5)°. The complex mol-ecules are stacked parallel to [100], forming channels in which the solvent chloro-form mol-ecules are located. C-H?O hydrogen-bonding inter-actions between the complex mol-ecules and the solvent mol-ecules consolidate the crystal packing.

SUBMITTER: Zaitsev KV

PROVIDER: S-EPMC3884274 | BioStudies | 2013-01-01T00:00:00Z

REPOSITORIES: biostudies

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Di-?-oxido-bis-({2,2'-[ethane-1,2-diylbis(nitrilo-methanylyl-idene)]diphen-olato}titanium(IV)) chloro-form disolvate.

Project description:In the title structure, [Ti2(C16H16N2O2)2O2]·2CHCl3, the Ti atom is coordinated in a distorted octa-hedral geometry by the O,N,N',O' donor set of the salalen ligand and by two ?2-oxide O atoms, which bridge two Ti(salalen) fragments into a centrosymmetric dimeric unit. In the central Ti2(?2-O)2 fragment, the metal-oxygen distances are significantly different [1.7962?(19) and 1.9292?(19)?Å]. In the crystal, the chloro-form mol-ecule is anchored via an N-H?Cl and a bifurcated C-H?(O,O) hydrogen bond. Slipped ?-? stacking [shortest C?C distance = 3.585?(4)?Å] and C-H?? inter-actions contribute to the coherence of the structure.

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Project description:Two independent mol-ecules of the title solvated complex, [V(C16H14N2O2)O]·CH3OH, also known as [N,N'-bis-(salicyl-idene)ethyl-enedi-amine]-oxidovanadium(IV) or vanadyl salen, crystallize in the asymmetric unit. Each disordered methanol solvent mol-ecule [occupancy ratios 0.678?(4):0.322?(4) and 0.750?(5):0.250?(5)] is linked to a [N,N'-bis-(salicyl-idene)ethyl-enedi-amine]-oxidovanadium(IV) mol-ecule by an O-H?O hydrogen bond and to others by C-H?O hydrogen bonds. The resulting extended structure consists of a bilayer of mol-ecules parallel to the ab plane. Despite the fact that solvates are common in complexes derived from substituted analogues of the N,N'-bis-(salicyl-idene)ethyl-enedi-amine ligand, the title solvate is the first one of [N,N'-bis-(salicyl-idene)ethyl-enedi-amine]-oxidovanadium(IV) to be structurally characterized. The two vanadyl species have very similar inter-nal geometries, which are best characterized as distorted square-based pyramidal with the vanadium atom displaced from the N2O2 basal plane by 0.5966?(9)?Å in the direction of the doubly-bonded oxide ligand.

1000-01-01 | S-EPMC4257326 | BioStudies

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2014-01-01 | S-EPMC4257443 | BioStudies

Di-?-methanolato-bis[(2-tert-butyl-6-methylphenolato-?O)methyl-titanium(IV)].

Project description:The molecule of the title compound, [Ti2(CH3)2(CH3O)2(C11H15O)4] or {[Ti(Me)(?-OCH3)(OC6H3CMe3-2-Me-6)]2}, has a centrosymmetric, dimeric structure with a distorted square pyramidal array about each titanium atom. The methoxide ligands form an asymmetric bridge between the two Ti(IV) atoms [Ti-O bond lengths of 1.9794?(12) and 2.0603?(12)?Å] with the two phenolato ligands occupying the remaining basal sites [Ti-O 1.8218?(11) and 1.8135?(11)?Å]. The Ti-O-C phenolato bond angles are similar at 161.24?(10) and 160.66?(11)°. The methyl ligand attached to the metal atom has a Ti-C bond length of 2.0878?(17)?Å.

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Ethyl 5-[(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)imino-meth-yl]-3,4-dimethyl-1H-pyrrole-2-carboxyl-ate.

Project description:In the title compound, C(21)H(24)N(4)O(3), the mol-ecule has an E configuration about the imine C=N double bond. Inter-molecular N-H?O hydrogen bonds assemble mol-ecules into centrosymmetric dimers.

2009-01-01 | S-EPMC2977180 | BioStudies

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Project description:The title compound, C14H16N2, is a pyrrole-2-carbaldimine ligand that shows an E conformation at the imine double bond. The dihedral angle between the rings is 78.3?(1)°. In the crystal, pairs of mol-ecules form centrosymmetric dimers [graph-set descriptor is presumably R(2)2(10)] via N-H?N hydrogen bonds between the pyrrole N-H group and the imine N atom of a neighbouring mol-ecule.

1000-01-01 | S-EPMC3588225 | BioStudies

Di-?-chlorido-bis-[dichlorido(N,N-diethyl-acetamidinato)(N,N-diethyl-acetamidine)titanium(IV)] acetonitrile disolvate.

Project description:In the centrosymmetric title compound [Ti(2)Cl(6)(C(6)H(13)N(2))(2)(C(6)H(14)N(2))(2)]·2C(2)H(3)N, an inversion center relates the two Ti atoms which display a distorted octa-hedral coordination geometry. There are two uncoordinated acetonitrile solvent mol-ecules per mol-ecule of title compound in the crystal structure.

1000-01-01 | S-EPMC2914912 | BioStudies

Crystal structure of an unknown solvate of {2,2'-[ethane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenolato-?(4) O,N,N',O'}(N-ferrocenylisonicotinamide-?N (1))cobalt(II): a Co(II)-salen complex that forms hydrogen-bonded dimers.

Project description:The title compound, [CoFe(C5H5)(C16H14N2O2)(C11H9N2O)], was prepared as an air-stable red-brown solid by mixing equimolar amounts of {2,2'-[ethane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenolato}cobalt(II) and N-ferrocenylisonicotinamide in dry di-chloro-methane under nitro-gen and was characterized by ESI-MS, IR, and single-crystal X-ray diffraction. The structure at 100?K has triclinic (P-1) symmetry and indicates that the complex crystallizes as a mixture of ? and ? conformers. It exhibits the expected square pyramidal geometry about Co, and forms hydrogen-bonded dimers through amide N-H groups and phenolate O atoms on an adjacent mol-ecule. The involvement of only half of the salen ring structure in hydrogen-bonding inter-actions results in slight folding of the salen ring away from the pyridine coordination site in the ? conformer with an inter-salicyl-idene fold angle of 9.9?(7)°. In contrast, the ? conformer is nearly planar. The dimers pack into an open structure containing channels filled with highly disordered solvent mol-ecules. These solvent molecules' contributions to the intensity data were removed with the SQUEEZE procedure [Spek (2015). Acta Cryst. C71, 9-18] available in PLATON.

2015-01-01 | S-EPMC4555431 | BioStudies

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