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4-Diethyl-amino-3,5-diisopropyl-benzalde-hyde.

ABSTRACT: The title benzaldehyde, C(17)H(27)NO, was prepared via lithia-tion of bromoaniline and reaction with DMF. In the crystal, the molecule adopts a C2-symmetrical conformation; nevertheless, two modes of disorder are present: the orientation of the aldehyde group (occupancy ratio 0.5:0.5) and of symmetry-equivalent ethyl groups [occupancy ratio 0.595 (7):0.405 (7)]. The phenyl-ene ring and the carbonyl group are essentially coplanar [C-C-C-O torsion angle = -179.0 (4)°] but the dihedral angle between the mean planes of the phenyl-ene ring and the amino group = 67.5 (2)°. This and the long [1.414 (3) Å] aniline C-N bond indicate electronic decoupling between the carbonyl and amino groups. The angle sum of 359.9 (2)° around the N atom results from steric compression-induced rehybridization.

SUBMITTER: Wink C

PROVIDER: S-EPMC3238983 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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4-Diethyl-amino-3,5-diisopropyl-benzalde-hyde.

Wink Christoph C Schollmeyer Dieter D Detert Heiner H

Acta crystallographica. Section E, Structure reports online 20111116 Pt 12

The title benzaldehyde, C(17)H(27)NO, was prepared via lithia-tion of bromoaniline and reaction with DMF. In the crystal, the molecule adopts a C2-symmetrical conformation; nevertheless, two modes of disorder are present: the orientation of the aldehyde group (occupancy ratio 0.5:0.5) and of symmetry-equivalent ethyl groups [occupancy ratio 0.595 (7):0.405 (7)]. The phenyl-ene ring and the carbonyl group are essentially coplanar [C-C-C-O torsion angle = -179.0 (4)°] but the dihedral angle betwee ...[more]

PMID: 22199832

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