Crystal structure of 5-(4-tert-butoxyphenyl)-3-(4-n-octyloxyphenyl)-4,5-dihydroisoxazole

Abstract

The molecule of the title compound, C27H37NO3, was prepared by [3 + 2] 1,3-dipolar cycloaddition of 4-n-octylphenylnitrile oxide and 4-tert-butoxystyrene, the latter compound being a very useful intermediate to the synthesis of liquid-crystalline materials. In the molecule, the benzene rings of the n-octyloxyphenyl and tert-butoxyphenyl groups form dihedral angles of 2.83 (7) and 85.49 (3)°, respectively, with the mean plane of the isoxazoline ring. In the crystal, molecules are linked by weak C—H...O hydrogen interactions into chains running parallel to the b axis.

Keywords

• isoxazolines
• liquid crystals
• [3 + 2] cycloaddition
• single crystals
• crystal structure