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

ABSTRACT: 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.

SUBMITTER: Jia Z

PROVIDER: S-EPMC2968515 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

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

Jia Zhen Z

Acta crystallographica. Section E, Structure reports online 20090228 Pt 3

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. ...[more]

PMID: 21582294

Similar Datasets

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

Project description: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.

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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'-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'-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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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'-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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(±)-trans-6,6'-Dieth-oxy-2,2'-[cyclo-hexane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenol monohydrate.

Project description:In the title hydrate, C24H30N2O4·H2O, the organic mol-ecule adopts an E conformation with respect to the azomethine double bonds. The cyclo-hexane ring is in a chair conformation. The dihedral angle between benzene rings is 79.6 (2)°. Two intra-molecular O-H⋯N hydrogen bonds are present. In the crystal, the components are linked by O-H⋯O hydrogen bonds and weak C-H⋯π inter-actions, generating a three-dimensional supramolecular architecture.

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{6,6'-Dieth-oxy-2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}zinc(II) monohydrate.

Project description:The mol-ecule of the title compound, [Zn(C(20)H(22)N(2)O(4))]·H(2)O, deviates from planarity with a dihedral angle between the two benzene rings is 18.3 (1)°. The four-coordinate Zn(II) ion has a distorted square-planar coordination and is N(2)O(2)-chelated by the Schiff base ligand. The Zn(II) ion and solvent water mol-ecule are located on a twofold rotation axis. The structure displays inter-molecular O-H⋯O hydrogen bonding.

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6,6'-Dimeth-oxy-2,2'-[(cyclo-hexane-1,2-di-yl)bis-(nitrilo-methyl-idyne)]diphenol.

Project description:The mol-ecule of the title compound, C(22)H(26)N(2)O(4), has two azomethine linkages, both of which are in an E configuration. The cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the benzene rings is 66.57 (9)°. The mol-ecular structure is stabilized by two intra-molecular O-H⋯N hydrogen bonds.

| S-EPMC3008137 | biostudies-literature

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