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6,6'-Dimeth-oxy-2,2'-[4,5-dimethyl-o-phenyl-enebis(nitrilo-methyl-idyne)]diphenol monohydrate.

ABSTRACT: In the title compound, C(24)H(24)N(2)O(4)·H(2)O, the dihedral angles between the central benzene ring and the two outer benzene rings of the Schiff base are 65.06?(9) and 3.02?(9)°. Strong intra-molecular O-H?N hydrogen bonds generate S(6) ring motifs. The H atoms of the water mol-ecule act as donors in the formation of bifurcated O-H?(O,O) inter-molecular hydrogen bonds with the O atoms of the hydr-oxy and meth-oxy groups with R(1) (2)(5) ring motifs; these may influence the mol-ecular conformation.

SUBMITTER: Kargar H

PROVIDER: S-EPMC2983671 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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6,6'-Dimeth-oxy-2,2'-[4,5-dimethyl-o-phenyl-enebis(nitrilo-methyl-idyne)]diphenol monohydrate.

Kargar Hadi H Kia Reza R Ullah Khan Islam I Sahraei Atefeh A

Acta crystallographica. Section E, Structure reports online 20100206 Pt 3

In the title compound, C(24)H(24)N(2)O(4)·H(2)O, the dihedral angles between the central benzene ring and the two outer benzene rings of the Schiff base are 65.06 (9) and 3.02 (9)°. Strong intra-molecular O-H⋯N hydrogen bonds generate S(6) ring motifs. The H atoms of the water mol-ecule act as donors in the formation of bifurcated O-H⋯(O,O) inter-molecular hydrogen bonds with the O atoms of the hydr-oxy and meth-oxy groups with R(1) (2)(5) ring motifs; these may influence the mol-ecular conforma ...[more]

PMID: 21580310

Similar Datasets

{6,6'-Dimeth-oxy-2,2'-[4,5-dimethyl-o-phenyl-enebis(nitrilo-methyl-idyne)]diphenolato}nickel(II).

Project description:In the title Schiff base complex, [Ni(C(24)H(22)N(2)O(4))], the Ni(II) atom has a slightly distorted square-planar coordination environment. The dihedral angles between the central benzene ring and the two outer rings are 7.62?(16) and 9.78?(17)°. The crystal structure is stabilized by inter-molecular C-H?O hydrogen bonds and ?-? inter-actions with a centroid-centroid distance of 3.8218?(19)?Å.

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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'-Dieth-oxy-2,2'-[4,5-dimethyl-o-phenyl-enebis(nitrilo-methyl-idyne)]diphenol-ethanol-water (1/1/1).

Project description:The title bis-Schiff base compound, C(26)H(28)N(2)O(4)·C(2)H(6)O·H(2)O, crystallizes as an ethanol and water solvate. Strong intra-molecular O-H⋯N hydrogen bonds generate S(6) ring motifs. The water H atoms form bifurcated O-H⋯(O,O) inter-molecular hydrogen bonds with the O atoms of the hydroxyl and eth-oxy groups with R(1) (2)(5) ring motifs, which may, in part, influence the mol-ecular configuration. The dihedral angles between the central benzene ring and the two outer benzene rings of the Schiff base mol-ecule are 5.64 (8) and 44.78 (9)°. The crystal structure is further stabilized by inter-molecular C-H⋯O and π-π inter-actions [centroid-centroid distances = 3.6139 (11)-3.7993 (11) Å].

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5,5'-Dimeth-oxy-2,2'-[4,5-dimethyl-o-phenyl-enebis(nitrilo-methyl-idyne)]diphenol.

Project description:In the crystal structure of the title compound, C(24)H(24)N(2)O(4), the dihedral angles between the central and the two outer benzene rings are 48.12?(8) and 21.44?(8)°. Intra-molecular O-H?N hydrogen bonding generates S(6) rings.

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4,4'-Dimethyl-2,2'-[1,2-phenyl-enebis(nitrilo-methyl-idyne)]diphenol.

Project description:In the title Schiff base, C(22)H(20)N(2)O(2), the benzene ring forms dihedral angles of 53.92 (1) and 3.62 (1)° with the two salicylaldimine groups. There are two strong O-H⋯N intra-molecular hydrogen bonds. The crystal packing is stabilized by weak inter-molecular C-H⋯O hydrogen bonds and π-π stacking inter-actions (average distance 3.39 Å).

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{6,6'-Dieth-oxy-2,2'-[4,5-dimethyl-o-phenyl-enebis(nitrilo-methyl-idyne)]diphenolato}copper(II).

Project description:In the title complex, [Cu(C(26)H(26)N(2)O(4))], the Cu(II) ion lies on a crystallographic twofold rotation axis and is coordinated in a slightly distorted square-planar environment. The dihedral angle between the central benzene ring and each of the two symmetry-related outer benzene rings is 5.1?(2)°. The crystal structure is stabilized by inter-molecular ?-? inter-actions with centroid-centroid distances in the range 3.466?(2)-3.6431?(16)?Å.

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{5,5'-Dimeth-oxy-2,2'-[4,5-dimethyl-o-phenyl-enebis(nitrilo-methyl-idyne)]diphenolato}nickel(II).

Project description:In the title Schiff base complex, [Ni(C(24)H(22)N(2)O(4))], the Ni(II) atom shows a square-planar geometry. The dihedral angles between the central benzene ring and the two outer rings are 4.79?(15) and 7.54?(15)°. In the crystal, mol-ecules are connected through inter-molecular C-H?O hydrogen bond, resulting in chains extending along the c axis. The crystal structure is further stabilized by inter-molecular ?-? inter-actions, with centroid-centroid distances in the range 3.3760?(15)-3.7196?(17)?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.

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

Project description:In the title compound, C(22)H(28)N(2)O(6), strong intra-molecular O-H⋯N hydrogen bonds and weak inter-molecular C-H⋯O hydrogen bonds stabilize the three-dimensional supra-molecular structure.

| S-EPMC2961880 | biostudies-literature

Redetermination of 6,6'-dimeth-oxy-2,2'-[hexane-1,6-diylbis(nitrilo-dimethyl-idyne)]diphenol.

Project description:The title compound, C(22)H(28)N(2)O(4), contains two independent centrosymmetric mol-ecules (A and B). In the previous structure determination [Xia et al. (2007 ?). Acta Cryst. E63, o259] both A and B were modelled as neutral mol-ecules with the H atoms of the the O-H groups included in calculated positions. In this redetermination, the transferrable H atoms were located in difference maps and freely refined, indicating that one mol-ecule (A) crystallizes in the neutral (nonzwitterionic) form and the other in the zwitterionic form, namely 6,6'-dimeth-oxy-2,2'-[hexane-1,6-diylbis(nitrilo-dimethyl-idyne)]-di-phenol-6,6'-dimeth-oxy-2,2'-[hexane-1,6-diylbis(nitrilio-di-methyl-idyne)]diphenolate (1/1). This finding is supported by significant differences in the C-O(H) (A) and C-O(-) (B) bond lengths. In the crystal, the zwitterionic mol-ecules (B) are involved in inter-molecular N-H?O hydrogen bonds forming one-dimensional chains along [001]. Each independent mol-ecule forms an intra-molecular O-H?N (A) or N-H?O (B) hydrogen bond. In mol-ecule B, one of the -CH(2)- groups is disordered over two sets of sites with refined occupancies of 0.659?(8) and 0.341?(8).

| S-EPMC3151875 | biostudies-other

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