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(2-tert-Butyl-3-phenyl-2,3-di-hydro-isoxazole-4,5-di-yl)bis-(phenyl-methanone).

ABSTRACT: The phenyl and tert-butyl groups of the title compound, C27H25NO3, exhibit a trans configuration in agreement with the stereochemistry of the Z phenyl-N-tert-butyl-nitrone starting material. The attached carbonyl groups are not coplanar with the neighboring di-hydro-isoxazole ring and the phenyl rings they are bonded to, with torsion angles of 59.26?(8), 17.53?(11), 16.52?(12) and 52.86?(7)°. The dihedral angle between the di-hydro-isoxazole ring and the directly attached phenyl group is 86.86?(8)°. There are two nonclassical inter-molecular C-H?O hydrogen-bonding inter-actions that operate together with an inter-molecular C-H?? inter-action to form a supramolecular architecture in the crystal system.

SUBMITTER: Sandhya R

PROVIDER: S-EPMC3793779 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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(2-tert-Butyl-3-phenyl-2,3-di-hydro-isoxazole-4,5-di-yl)bis-(phenyl-methanone).

Sandhya R R Sithambaresan M M Prathapan S S Kurup M R Prathapachandra MR

Acta crystallographica. Section E, Structure reports online 20130720 Pt 8

The phenyl and tert-butyl groups of the title compound, C27H25NO3, exhibit a trans configuration in agreement with the stereochemistry of the Z phenyl-N-tert-butyl-nitrone starting material. The attached carbonyl groups are not coplanar with the neighboring di-hydro-isoxazole ring and the phenyl rings they are bonded to, with torsion angles of 59.26 (8), 17.53 (11), 16.52 (12) and 52.86 (7)°. The dihedral angle between the di-hydro-isoxazole ring and the directly attached phenyl group is 86.86 ( ...[more]

PMID: 24109366

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