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2,2'-[(4-Methyl-2-phenyl-imidazolidine-1,3-di-yl)bis-(methyl-ene)]diphenol.

ABSTRACT: The methyl-substituted imidazolidine ring of the title compound, C24H26N2O2, adopts an envelope conformation with the N atom adjacent to the methyl-ene group as the flap. The meth-yl-ethyl-ene fragment in this ring is disordered over two positions with an occupancy ratio of 0.899?(4):0.101?(4). The hy-droxy-benzyl groups are inclined at 71.57?(15) and 69.97?(19)° to the mean plane of major disorder component of the heterocyclic ring with an inter-planar angle between the two hy-droxy-benzyl groups of 66.00?(5)°. The phenyl substit-uent approaches a nearly perpendicular orientation relative to the mean plane of the imidazolidine ring, making a dihedral angle of 75.60?(12)°. This conformation is stabilized by two intra-molecular O-H?N bonds, which generate S(6) ring motifs.

SUBMITTER: Rivera A

PROVIDER: S-EPMC3793710 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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2,2'-[(4-Methyl-2-phenyl-imidazolidine-1,3-di-yl)bis-(methyl-ene)]diphenol.

Rivera Augusto A Cárdenas Lorena L Ríos-Motta Jaime J Eigner Václav V Dušek Michal M

Acta crystallographica. Section E, Structure reports online 20130703 Pt 8

The methyl-substituted imidazolidine ring of the title compound, C24H26N2O2, adopts an envelope conformation with the N atom adjacent to the methyl-ene group as the flap. The meth-yl-ethyl-ene fragment in this ring is disordered over two positions with an occupancy ratio of 0.899 (4):0.101 (4). The hy-droxy-benzyl groups are inclined at 71.57 (15) and 69.97 (19)° to the mean plane of major disorder component of the heterocyclic ring with an inter-planar angle between the two hy-droxy-benzyl grou ...[more]

PMID: 24109297

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Project description:In the title compound, C(29)H(42)N(2)O(2), the heterocyclic ring has a twist conformation. The cyclohexane ring adopts a chair conformation. The dihedral angle between the aromatic rings is 32.74?(6)°. The mol-ecular conformation is stabilized by two intramolecular O-H?N hydrogen bonds with graph-set motif S(6). The crystal packing is stabilized by C-H?O and C-H?? inter-actions.

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