Abstract
In the crystal structure of the title compound, C15H9F2NO, the complete molecule is generated by a crystallographic twofold rotation axis and the O and N atoms of the central isoxazole ring are statistically disordered with equal site occupancies. The terminal benzene rings form a dihedral angle of 24.23 (3)° with the isoxazole ring. The dihedral angle between the benzene rings is 47.39 (2)°. No significant intermolecular interactions are observed.
Highlights
In the crystal structure of the title compound, C15H9F2NO, the complete molecule is generated by a crystallographic twofold rotation axis and the O and N atoms of the central isoxazole ring are statistically disordered with equal site occupancies
For stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986)
R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger
Summary
USM, Penang, Malaysia, bDepartment of Studies in Chemistry, Mangalore University, Mangalagangotri 574 199, India, and cDepartment of Chemistry, P. Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.001 Å; disorder in main residue; R factor = 0.045; wR factor = 0.131; data-to-parameter ratio = 28.5. In the crystal structure of the title compound, C15H9F2NO, the complete molecule is generated by a crystallographic twofold rotation axis and the O and N atoms of the central isoxazole ring are statistically disordered with equal site occupancies. HKF and SA thank Universiti Sains Malaysia (USM) for the Research University Grant (1001/PFIZIK/811160). SA thanks the Malaysian Government and USM for the Academic Staff Training Scheme (ASTS) award.
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