Abstract
In the title compound, C21H16BrNO3, the mean planes of the anthracene tricycle and isoxazole ring are inclined to each other at a dihedral angle of 72.12 (7)°. The carboxy group is slightly out of the isoxazole mean plane, with a maximum deviation of 0.070 (5) Å for the carbonyl O atom. In the crystal, pairs of weak C—H⋯O hydrogen bonds link the molecules into dimers, and weak C—H⋯N interactions further link these dimers into corrugated layers parallel to the bc plane.
Highlights
In the title compound, C21H16BrNO3, the mean planes of the anthracene tricycle and isoxazole ring are inclined to each other at a dihedral angle of 72.12 (7)
The Bruker single-crystal X-ray diffraction facility was established at Ithaca College in 2012
The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry
Summary
R factor = 0.025; wR factor = 0.074; data-to-parameter ratio = 18.1. C21H16BrNO3, the mean planes of the anthracene tricycle and isoxazole ring are inclined to each other at a dihedral angle of 72.12 (7). The carboxy group is slightly out of the isoxazole mean plane, with a maximum deviation of 0.070 (5) Å for the carbonyl O atom. Pairs of weak C—H O hydrogen bonds link the molecules into dimers, and weak C—H N interactions further link these dimers into corrugated layers parallel to the bc plane
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