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6,6'-Dieth-oxy-2,2'-[propane-1,3-diyl-dioxy-bis(nitrilo-methyl-idyne)]diphenol.

ABSTRACT: The complete mol-ecule of the title compound, C(21)H(26)N(2)O(6), is generated by a crystallographic twofold axis and adopts a trans configuration with respect to the azomethine group. The two benzene rings are almost perpendicular to one another, making a dihedral angle of 89.53?(3)°. In the mol-ecular structure, pairs of intra-molecular O-H?N hydrogen bonds generate two six-membered rings. The crystal structure is further stabilized by inter-molecular C-H?O hydrogen bonds, which link four adjacent mol-ecules into a network structure.

SUBMITTER: Wang L

PROVIDER: S-EPMC2983666 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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6,6'-Dieth-oxy-2,2'-[propane-1,3-diyl-dioxy-bis(nitrilo-methyl-idyne)]diphenol.

Wang Li L Sun Yin-Xia YX Tong Jun-Feng JF

Acta crystallographica. Section E, Structure reports online 20100203 Pt 3

The complete mol-ecule of the title compound, C(21)H(26)N(2)O(6), is generated by a crystallographic twofold axis and adopts a trans configuration with respect to the azomethine group. The two benzene rings are almost perpendicular to one another, making a dihedral angle of 89.53 (3)°. In the mol-ecular structure, pairs of intra-molecular O-H⋯N hydrogen bonds generate two six-membered rings. The crystal structure is further stabilized by inter-molecular C-H⋯O hydrogen bonds, which link four adja ...[more]

PMID: 21580287

Similar Datasets

6,6'-Dihydr-oxy-2,2'-[(propane-1,3-diyl-dioxy)bis-(nitrilo-methyl-idyne)]diphenol.

Project description:The mol-ecule of the title compound, C(17)H(18)N(2)O(6), adopts a V-shaped conformation, the dihedral angle between the two halves of the mol-ecule being 81.31?(4) °. There is one half-mol-ecule in the asymmetric unit, with a crystallographic twofold rotation axis passing through the central C atom. There are strong intra-molecular O-H?N and O-H?O hydrogen bonds involving the hydr-oxy group and adjacent O and N atoms. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules, forming an infinite three-dimensional supra-molecular structure.

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6,6'-Dieth-oxy-2,2'-[propane-1,2-diyl-bis(nitrilo-methyl-idyne)]diphenol.

Project description:In the title mol-ecule, C(21)H(26)N(2)O(4), the dihedral angle between the two benzene rings is 88.4?(3)°. Two fairly strong intra-molecular O-H?N hydrogen bonds may, in part, influence the mol-ecular conformation.

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6,6'-Dihydr-oxy-2,2'-[(pentane-1,5-diyl-dioxy)bis-(nitrilo-methyl-idyne)]diphenol.

Project description:The mol-ecule of the title compound, C(19)H(22)N(2)O(6), assumes a W-shaped configuration with the dihedral angle between the two halves of the mol-ecule being 82.48?(5)°. There is one half-mol-ecule in the asymmetric unit with a crystallographic twofold rotation axis passing through the central C atom of the five methylene groups in the [-CH=N-O-(CH(2))(5)-O-N=CH-] bridge. The dihedral angle formed by the two benzene rings in each mol-ecule of the title compound is 84.18?(4)°. There are strong intra-molecular O-H?N and O-H?O hydrogen bonds and weak inter-molecular ?-? stacking inter-actions between neighbouring benzene rings, and the inter-molecular plane-to-plane distances are 3.488?(2) and 3.841?(3)?Å along the b and c axes, respectively. In the crystal structure, inter-molecular O-H?O hydrogen bonds link each mol-ecule to two others, forming an infinite three-dimensional supra-molecular structure.

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6,6'-Dimeth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The title Schiff base compound, C(21)H(26)N(2)O(4), exhibits two crystallographically independent mol-ecules in the asymmetric unit with similar conformations. The imino groups are coplanar with the benzene rings; the maximum deviations of the N atoms from the planes comprising the benzene rings and the imino groups are -0.037 (4), 0.013 (4), -0.021 (5), and 0.008 (5) Å. The dihedral angles between the benzene rings in the two mol-ecules are 53.64 (17) and 51.93 (17)°. Strong intra-molecular O-H⋯N hydrogen bonds generate S(6) ring motifs. The N atoms are also in close proximity to the H atoms of the dimethyl-propane groups, with H⋯N distances between 2.54 and 2.75 Å. The crystal structure is further stabilized by weak inter-molecular C-H⋯O hydrogen bonds, weak inter-molecular C-H⋯π inter-actions and π-π contacts involving the imine C atom and two C atoms from the adjacent benzene rings.

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A second tricilinc polymorph of 6,6'-dieth-oxy-2,2'-[propane-1,2-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The title Schiff base compound, C(21)H(26)N(2)O(4), is a second triclinic polymorph of a previously reported room-temperature structure [Jia (2009 ▶). Acta Cryst. E65, o646]. Strong intra-molecular O-H⋯N hydrogen bonds generate S(6) ring motifs. Inter-molecular C-H⋯O inter-actions link neighbouring mol-ecules into dimers with an R(2) (2)(16) ring motif. The mean planes of the two benzene rings are almost perpendicular to each other, making a dihedral angle of 88.24 (5)°. An inter-esting feature of the crystal structure is the intermolecular short C⋯O [3.1878 (13) Å] contact which is shorter than the sum of the van der Waals radii of the relevant atoms. The crystal structure is further stabilized by inter-molecular C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.7414 (6) Å]. The structure has a stereogenic centre but the space group is centrosymmetric, so the mol-ecule exists as a racemate.

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{6,6'-Dieth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato}copper(II) monohydrate.

Project description:In the title complex, [Cu(C(23)H(28)N(2)O(4))]·H(2)O, the Cu(II) ion has a distorted planar geometry, coordinated by the N(2)O(2) unit of the tetra-dentate Schiff base ligand. The asymmetric unit comprises one complex mol-ecule and a water mol-ecule of crystallization. The water H atoms form bifurcated O-H?(O,O) inter-molecular hydrogen bonds with the O atoms of the phenolate and eth-oxy groups with R(1) (2)(5) and R(1) (2)(6) ring motifs, which may, in part, influence the mol-ecular configuration. The dihedral angle between the two O-Cu-N coordination planes is 31.02?(6)° and the dihedral angle between the two benzene rings is 34.98?(7)°. In the crystal structure, mol-ecules are linked together by inter-molecular C-H?O inter-actions, forming extended chains along the a axis. The crystal structure is further stabilized by inter-molecular C-H?? and ?-? [centroid-centroid = 3.5068?(13)?Å] inter-actions.

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{6,6'-Dieth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato}nickel(II) monohydrate.

Project description:In the title complex, [Ni(C(23)H(28)N(2)O(4))]·H(2)O, the Ni(II) ion is coordinated by the N(2)O(2) unit of the tetra-dentate Schiff base ligand in a slightly distorted planar geometry. The asymmetric unit of the title compound comprises one complex mol-ecule and a water mol-ecule of crystallization. The H atoms of the water mol-ecule make bifurcated inter-molecular hydrogen bonds with the O atoms of the phenolate and eth-oxy groups with R(1) (2)(5) and R(1) (2)(6) ring motifs, which may, in part, influence the mol-ecular configuration. The dihedral angle between the two benzene rings is 31.43 (5)°. The crystal structure is further stabilized by inter-molecular C-H⋯O and C-H⋯π inter-actions, which link neighbouring mol-ecules into one-dimensional extended chains along the a axis. An inter-esting feature of the crystal structure is the short inter-molecular C⋯C [3.3044 (14) Å] contact which is shorter than the sum of the van der Waals radii.

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4,4'-Dichloro-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The crystal of the title Schiff base compound, C(19)H(20)Cl(2)N(2)O(2), contains of two crystallographically independent mol-ecules with similar conformations. In each mol-ecule, two intramolecular O-H⋯N bonds generate S(6) motifs. The N atoms are also in close proximity to two H atoms of the dimethyl-propane groups, with H⋯N distances between 2.59 and 2.62 Å. The imine group is coplanar with the benzene ring. The dihedral angles between the benzene rings in the two independent mol-ecules are 58.20 (12) and 47.95 (12)°. The structure displays short inter-molecular Cl⋯Cl [3.3869 (11) Å] and Cl⋯O [3.175 (2)-3.204 (2) Å] inter-actions. The crystal structure is further stabilized by weak inter-molecular C-H⋯O, C-H⋯π and π-π [centroid-centroid distances 3.6416 (13)-3.8705 (14) Å] inter-actions.

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{?-6,6'-Dimeth-oxy-2,2'-[propane-1,3-diyl-bis(nitrilo-methyl-idyne)]-diphenolato}-trinitratocopper(II)samarium(III) acetone solvate.

Project description:In the title complex, [CuSm(C(19)H(20)N(2)O(4))(NO(3))(3)]·CH(3)CO-CH(3), the Cu(II) atom is four-coordinated in a square-planar geometry by two O atoms and two N atoms of the deprotonated Schiff base. The Sm(III) atom is ten-coordinate, chelated by three nitrate groups and linked to the four O atoms of the deprotonated Schiff base.

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{4,4'-Dibromo-2,2'-[propane-1,3-diyl-bis(nitrilo-methyl-idyne)]diphenolato}zinc(II).

Project description:The title mononuclear zinc(II) complex, [Zn(C(17)H(14)Br(2)N(2)O(2))], possesses a crystallographically imposed C(2) axis. The Zn atom is four-coordinated by two O and two N atoms from two Schiff base ligands, forming a severely distorted square-planar geometry. The central C atom of the propyl group is disordered over two positions about the twofold axis.

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