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4,4'-Dimeth-oxy-2,2'-[methyl-aza-ne-diyl-bis(methyl-ene)]diphenol.

ABSTRACT: The title compound, C(17)H(21)NO(4), shows an intra-molecular hydrogen bond between a phenol OH group and the N atom. In the crystal, mol-ecules are connected by pairs of O-H⋯O hydrogen bonds into inversion dimers.

SUBMITTER: Veranitisagul C

PROVIDER: S-EPMC3393949 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4,4'-Dimeth-oxy-2,2'-{[(3aRS,7aRS)-2,3,3a,4,5,6,7,7a-octa-hydro-1H-1,3-benzimidazole-1,3-diyl]bis(methyl-ene)}diphenol.

Project description:The title compound, C(23)H(30)N(2)O(4), is a Mannich base useful for studying the effect of an electron-donating phenol substituent on intra-molecular hydrogen bonding. In the mol-ecular structure, the cyclo-hexane ring adopts a chair conformation and the five-membered ring has a twisted envelope conformation. Each meth-oxy group is oriented in the same plane of the respective aromatic ring, showing torsion angles below 11.8 (3)° and bond angles between the meth-oxy group and the aromatic ring of 116.6 (2) and 116.6 (1)°. The structure shows inter-actions between two the N atoms of the heterocyclic ring and the hy-droxy groups by intra-molecular O-H⋯N hydrogen-bonding inter-actions. In the crystal, C-H⋯O inter-actions are observed. The crystal studied was a racemic mixture of RR and SS enanti-omers.

| S-EPMC3200725 | biostudies-literature

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

4,4'-Dimeth-oxy-2,2'-[(butane-1,4-diyldi-oxy)bis-(nitrilo-methyl-idyne)]diphenol.

Project description:The title Schiff base bis-oxime compound, C(20)H(24)N(2)O(6), lies across an inversion centre and adopts an E configuration with respect to the C=N bond. In the mol-ecule, the oxime group is roughly coplanar with the benzene ring, forming a dihedral angle of 1.77?(2)°. An intra-molecular O-H?N hydrogen bond forms a six-membered ring with an S(6) motif. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3009145 | biostudies-literature

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

Project description:The mol-ecule of the title compound, C(21)H(26)N(2)O(6), which lies across a crystallographic inversion centre, crystallizes with two unique half-molecules in the symmetric unit and adopts a linear configuration and the imino group is coplanar with the aromatic ring, making a dihedral angle of 3.26 (3)°. Strong intra-molecular O-H⋯N and weak inter-molecular O-H⋯O and C-H⋯O hydrogen bonds and weak inter-molecular π-π stacking inter-actions [centroid-centroid distance = 4.419 (2) Å]establish an infinite three-dimensional supra-molecular structure.

| S-EPMC2977826 | biostudies-literature

(E,E)-6,6'-Dimeth-oxy-2,2'-[o-phenyl-ene-bis(nitrilo-methyl-idyne)]diphenol.

Project description:In the title compound, C(22)H(20)N(2)O(4), the central benzene ring forms dihedral angles of 3.2 (2) and 61.1 (1)° with the two outer substituted benzene rings. Intra-molecular O-H⋯N hydrogen bonds are formed by both hydroxyl groups.

| S-EPMC2968897 | biostudies-literature

meso-4,4'-Dimeth-oxy-2,2'-{[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octa-hydro-1H-benz-imidazole-1,3-di-yl]bis-(methyl-ene)}diphenol.

Project description:The title compound, C23H30N2O4, a di-Mannich base derived from 4-meth-oxy-phenol and cis-1,2-di-amine-cyclo-hexane, has a perhydro-benzimidazolidine nucleus, in which the cyclo-hexane ring adopts a chair conformation and the heterocyclic ring has a half-chair conformation with a C-N-C-C torsion angles of -48.14 (15) and -14.57 (16)°. The mean plane of the heterocycle makes dihedral angles of 86.29 (6) and 78.92 (6)° with the pendant benzene rings. The mol-ecular structure of the title compound shows the presence of two inter-actions between the N atoms of the imidazolidine ring and the hydroxyl groups through intra-molecular O-H⋯N hydrogen bonds with graph-set motif S(6). The unobserved lone pairs of the N atoms are presumed to be disposed in a syn conformation, being only the second example of an exception to the typical 'rabbit-ears' effect in 1,2-di-amines.

| S-EPMC3772488 | biostudies-literature

6,6'-Dimethyl-2,2'-[imidazolidine-1,3-diyl-bis(methyl-ene)]diphenol.

Project description:In the title compound, C19H24N2O2, a di-Mannich base derived from 2-methyl-phenol and 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1(3,8)]dodecane, the imidazolidine ring adopts a twist conformation, with a twist about the ring N-C bond [C-N-C-C torsion angle = -44.34 (14)°]. The two 2-hy-droxy-3-methyl-benzyl groups are located in trans positions with respect to the imidazolidine fragment. The structure displays two intra-molecular O-H⋯N hydrogen bonds, which each form an S(6) ring motif. In the crystal, the mol-ecules are linked by weak C-H⋯O inter-actions with a bifurcated acceptor, forming a three-dimensional network.

| S-EPMC3998388 | biostudies-literature

4,4'-Dimethyl-2,2'-[imidazolidine-1,3-diylbis(methyl-ene)]diphenol.

Project description:The imidazolidine ring in the title compound, C(19)H(24)N(2)O(2), adopts a twist conformation and its mean plane (r.m.s. deviation = 0.19?Å) makes dihedral angles of 72.38?(9) and 71.64?(9)° with the two pendant aromatic rings. The dihedral angle between the phenyl rings is 55.94?(8)°. The mol-ecular structure shows the presence of two intra-molecular O-H?N hydrogen bonds between the phenolic hydroxyl groups and N atoms with graph-set motif S(6). In the crystal, C-H?O hydrogen bonds lead to the formation of chains along the b-axis direction.

| S-EPMC3515265 | biostudies-literature

4,4'-Difluoro-2,2'-[imidazolidine-1,3-diylbis(methyl-ene)]diphenol.

Project description:In the title compound, C(17)H(18)F(2)N(2)O(2), the imidazolidine ring system exists in a twist conformation. The mean plane through this ring system forms dihedral angles of 80.8?(8)° and 66.2?(13)°, with the benzene rings. The dihedral angle between the benzene rings is 52.0?(14)°. Two intra-molecular O-H?N hydrogen bonds each generate S(6) ring motifs. In the crystal, weak C-H?O hydrogen bonds form dimers, which are connected by further C-H?O inter-actions.

| S-EPMC3470394 | biostudies-literature

6,6'-Dimeth-oxy-2,2'-[p-phenyl-ene-bis(nitrilo-methyl-idyne)]diphenol chloro-form disolvate.

Project description:The title compound, C(22)H(20)N(2)O(4)·2CHCl(3), a new Schiff base compound, lies across a crystallographic inversion centre. An intra-molecular O-H⋯N hydrogen bond generates a six-membered ring, producing an S(6) ring motif. Inter-molecular bifurcated C-H⋯O hydrogen bonds involving the two O atoms of the Schiff base ligand and the H atom of the chloro-form solvent of crystallization, generate an R(2) (1)(5) ring motif. The crystal structure is stabilized by inter-molecular C-H⋯π and π-π inter-actions [centroid to centroid distance = 3.6158 (10) Å]. In the crystal structure, mol-ecules are stacked down the c axis.

| S-EPMC2969051 | biostudies-literature

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