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(4,4',6,6'-Tetra-tert-butyl-2,2'-{[2-(di-methyl-amino)-ethyl]-nitrilo-bis-(methyl-ene)}diphenolato)dioxidomolyb-denum(VI) chloro-form monosolvate.

ABSTRACT: In the title compound, [Mo(C(34)H(54)N(2)O(2))O(2)]·CHCl(3), the molybdenum(VI) ion exhibits a cis-dioxide distorted octa-hedral geometry. Two anionic phenolate O-atom donors and two neutral N-atom donors of the ligand are trans and cis, respectively. The Mo=O bond lengths and the O=Mo=O bond angle are typical for six-coordinated dioxomolyb-denum(VI) complexes. The Mo-N bond lengths are longer than 2.30 Å, as expected for a trans O=Mo-N structure.

SUBMITTER: Lei X

PROVIDER: S-EPMC3246940 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(Dimethyl sulfoxide-κO){4,4',6,6'-tetra-tert-butyl-2,2'-[1,2-dicyano-ethene-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato-κO,N,N',O'}zinc(II) acetonitrile monosolvate.

Project description:The Zn atom in the title acetonitrile solvate, [Zn(C(34)H(42)N(4)O(2))(C(2)H(6)OS)]·CH(3)CN, exists in a distorted square-pyramidal geometry with the basal plane defined by the N(2)O(2) atoms of the tetra-dentate Schiff base and with the dimethyl sulfoxide O atom in the apical position. The tetra-dentate mode of coordination of the Schiff base ligand leads to a five-membered ZnN(2)C(2) chelate ring which adopts an envelope conformation with the Zn atom at the flap, and two six-membered ZnOC(4)N chelate rings, one of which is approximately planar (r.m.s. deviation = 0.054 Å) but the other has significant puckering (r.m.s. deviation = 0.203 Å).

| S-EPMC3052118 | biostudies-literature

6,6'-Di-tert-butyl-2,2'-[1,2-phenyl-ene-bis(nitrilo-methyl-idyne)]diphenol.

Project description:The mol-ecule of the title Schiff base compound, C(28)H(32)N(2)O(2), has a twisted geometry, the dihedral angles between the central benzene ring and the other two benzene rings being 29.12?(14) and 26.01?(14)°. Four intra-molecular C-H?O hydrogen bonds and two intra-molecular O-H?N hydrogen bonds stabilize the mol-ecular structure. In the crystal packing, mol-ecules are stacked along the a axis and stabilized by ?-? inter-actions [centroid-centroid distance = 3.6724?(17)?Å]. The crystal studied was found to be a non-merohedral twin, the refined ratio of twin components being 0.374?(5):0.626?(5).

| S-EPMC2972107 | biostudies-literature

4,4',6,6'-Tetra-tert-butyl-2,2'-[1,2-phenyl-enebis(nitrilo-methyl-idyne)]diphenol acetone solvate.

Project description:In the Schiff base mol-ecule of the title compound, C(36)H(48)N(2)O(2)·C(3)H(6)O, the central benzene ring makes dihedral angles of 46.64?(10) and 49.34?(10)° with the two outer benzene rings, and the two outer benzene rings form an angle of 39.13?(8)°. There are two intra-molecular O-H?N hydrogen bonds involving the two hydr-oxy groups, which generate S(6) ring motifs. In the crystal structure, the Schiff base mol-ecules are linked into a chain along the a axis by C-H?? inter-actions. The acetone solvent mol-ecules are attached to the chain via C-H?O hydrogen bonds.

| S-EPMC2960780 | biostudies-literature

{4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenolato}dioxidomolyb-denum(VI).

Project description:The asymmetric unit of the title compound, [Mo(C(19)H(16)Cl(4)N(2)O(2))O(2)], comprises two independent mol-ecules (A and B). The geometry around the Mo(VI) atom is distorted octa-hedral in each complex mol-ecule, supported by two oxide O atoms and the N(2)O(2) donor atoms of the coordinating ligand. The dihedral angle between the benzene rings is 74.96?(11)?Å for mol-ecule A and 76.05?(11)?Å for mol-ecule B. In the crystal, the B mol-ecules are linked by pairs of C-H?Cl hydrogen bonds, forming inversion dimers. The crystal structure is further stabilized by C-H?? inter-actions. An inter-esting feature of the crystal structure is a Cl?Cl contact [3.3748?(18)?Å], which is shorter than the sum of the van der Waals radii of Cl atoms (3.50?Å).

| S-EPMC3470140 | biostudies-literature

4,4',6,6'-Tetra-tert-butyl-2,2'-[1,3-diazinane-1,3-diylbis(methyl-ene)]diphenol 0.25-hydrate.

Project description:The title compound, C(34)H(54)N(2)O(2)·0.25H(2)O, the organic mol-ecule, a potential tetra-dentate ligand with a bulky phenolic donor, has overall mirror symmetry. A partially occupied water mol-ecule of solvation is present in the lattice. The six-membered 1,3-diazinane ring displays a chair conformation. An intra-molecular O-H⋯N hydrogen bond ocurs. In the crystal, mol-ecules are linked by O-H⋯O inter-actions.

| S-EPMC3393934 | biostudies-literature

4,4',6,6'-Tetra-tert-butyl-2,2'-[butane-1,4-diylbis(nitrilo-methanylyl-idene)]diphenol.

Project description:The title compound, C(34)H(52)N(2)O(2), is centrosymmetric, the mid-point of the central C-C bond being located on an inversion centre. Intra-molecular O-H?N and weak C-H?O hydrogen bonds are observed, but no significant inter-molecular inter-actions occur in the crystal structure.

| S-EPMC3247362 | biostudies-literature

Acetato-aqua-{4,4',6,6'-tetra-tert-butyl-2,2'-[(2-pyridyl-meth-yl)imino-dimethyl-ene]diphenolato}manganese(III) ethanol solvate.

Project description:In the title complex, [Mn(C(36)H(50)N(2)O(2))(CH(3)COO)(H(2)O)]·CH(3)CH(2)OH, the Mn(III) atom is in an octa-hedral environment and is coordinated by the tetra-dentate amine-bis-(phenolate) ligand, a monodentate acetate anion and a water mol-ecule. An ethanol solvent mol-ecule is also found in the asymmetric unit. The structure displays O-H⋯O and C-H⋯O hydrogen bonding.

| S-EPMC3006980 | biostudies-literature

The cocrystal aqua-chlorido{6,6'-di-tert-butyl-2,2'-[1,2-phenyl-enebis(nitrilo-methyl-idyne)]diphenolato-κO,N,N',O'}-manganese(III)-chlorido{6,6'-di-tert-butyl-2,2'-[1,2-phenyl-enebis(nitrilo-methyl-idyne)]diphenolato-κO,N,N',O'}(methanol-κO)manganese(III) (1/1).

Project description:The asymmetric unit of the title complex, [Mn(C(28)H(30)N(2)O(2))Cl(H(2)O)][Mn(C(28)H(30)N(2)O(2))Cl(CH(3)OH)], contains two discrete Mn(III) complexes of a Schiff base ligand, with an N(2)O(2) donor set. Both Mn(III) centers are in a distorted octa-hedral geometry with the N(2)O(2) donor atoms of the tetra-dentate Schiff base dianion in the equatorial plane. The axial positions in the coordination environment of one Mn(III) complex are occupied by a chloride ion and a water mol-ecule, but a methanol mol-ecule replaces the water mol-ecule in the other complex. The coordinated water mol-ecule takes part in an O-H⋯Cl hydrogen bond between the two Mn(III) complexes. In the crystal structure, O-H⋯Cl hydrogen bonds link the mol-ecules into infinite one-dimensional chains along the [100] direction. The crystal structure is stabilized by O-H⋯Cl hydrogen bonds together with weak C-H⋯O and C-H⋯Cl inter-actions. A C-H⋯π inter-action is also observed in the crystal structure.

| S-EPMC2961111 | biostudies-literature

Chlorido{4,4',6,6'-tetra-tert-butyl-2,2'-[o-phenyl-enebis(nitrilo-methyl-idyne)]diphenolato-?O,N,N',O'}manganese(III).

Project description:The asymmetric unit of the title Schiff base complex, [Mn(C(36)H(46)N(2)O(2))Cl], comprises two crystallographically independent mol-ecules. The Mn(III) centre in each mol-ecule adopts a distorted square-pyramidal geometry. Each Mn(III) ion is coordinated by the N(2)O(2) atoms of the tetra-dentate Schiff base ligand forming the basal plane and the coordinated chloride anion occupies the apical position. Four bifurcated intra-molecular C-H?O contacts stabilize the mol-ecular structure. In the crystal packing, mol-ecules are linked into dimers via inter-molecular C-H?Cl contacts and further stabilized by C-H?? inter-actions. The crystal studied was a non-merohedral twin, the refined ratio of the twin components being 0.441?(1):0.559?(1).

| S-EPMC2971881 | biostudies-other

6,6'-Di-tert-butyl-4,4'-dimeth-oxy-2,2'-[1,3-diazinane-1,3-diylbis(methyl-ene)]diphenol 0.19-hydrate.

Project description:In the title hexa-hydro-pyrimidine derivative, C(28)H(42)N(2)O(4)·0.19H(2)O, the 1,3-diazinane ring has a chair conformation with a diequatorial substitution. The asymmetric unit contains one half-organic mol-ecule and a solvent water mol-ecule with occupany 0.095. The mol-ecule lies on a mirror plane perpendicular to [010] which passes through the C atoms at the 2- and 5-positions of the heterocyclic system. The partially occupied water mol-ecule is also located on this mirror plane. The dihedral angle between the planes of the aromatic rings is 17.71?(3)°. Two intra-molecular O-H?N hydrogen bonds with graph-set motif S(6) are present. No remarkable inter-molecular contacts exist in the crystal structure.

| S-EPMC3254529 | biostudies-literature

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