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

ABSTRACT: 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.

SUBMITTER: Dong WK

PROVIDER: S-EPMC2960728 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

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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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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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Project description:The mol-ecule of the title compound, C(17)H(16)Br(2)N(2)O(2), lies on a twofold axis that passes through the middle atom of the three-atom trimethyl-ene unit. The two aromatic rings are aligned at an angle of 76.02 (4)°.

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Project description:The mol-ecule of the centrosymmetric title compound, C(18)H(20)N(2)O(6), assumes an E configuration with respect to the azomethine C=N bond. The imino group is coplanar with the aromatic ring. Intra-molecular O-H?O and O-H?N bonds are found between the hydroxyl groups and adjacent O (or N) atoms. In the crystal structure, inter-molecular O-H?O bonds link each mol-ecule to two others, forming a layered network.

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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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Project description:The title compound, C(21)H(20)N(4), is a bidentate Schiff base ligand. An intra-molecular C-H⋯N hydrogen bond forms a five-membered ring, producing an S(5) ring motif. The cyano and imino [-C(H(2))-N=C-] functional groups are coplanar with the benzene ring in each half of the mol-ecule. The packing of the mol-ecules is controlled by C-H⋯π and π-π inter-actions [centroid-to-centroid distance = 3.6944 (8) Å].

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5,5'-Dimeth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The asymmetric unit of the title Schiff base compound, C(21)H(26)N(2)O(4), consists of four crystallographically independent mol-ecules, viz. A, B, C and D. The A and D, and the B and C mol-ecules are related by a pseudo-inversion centre, and the remaining pairs of mol-ecules differ in the orientations of one of the meth-oxy groups. In each independent mol-ecule, intra-molecular O-H⋯N hydrogen bonds generate two S(6) ring motifs. The dihedral angles between the benzene rings in mol-ecules A, B, C and D are 65.86 (19), 50.41 (19), 68.59 (19) and 50.85 (19)°, respectively. In the crystal structure, mol-ecules are linked by C-H⋯O hydrogen bonds, forming R(2) (2)(8) dimers. In addition, weak C-H⋯π inter-actions are observed.

| S-EPMC2959808 | biostudies-literature

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