Abstract
N-Methyl-3-phenyl-4-bromoisoxazolin-5-one, CIoHsNO2Br, crystallizes in the monoclinic space group P21/n with cell dimensions a=7.551, b=18310, c=7.626 /~ and ~=100.85 °. There are four molecules in the unit cell. The structure, solved with the 'heavy atom' method after localization of the bromine atom from Patterson maps, was refined by three-dimensional anisotropic full-matrix leastsquares analysis. A final R index of 0.065 for 1008 observed reflexions was obtained. Bond lengths and angles are normal; the planes of the phenyl and isoxazolinone rings contain a dihedral angle of 50.4 °. The results are compared with those for N-methyl-4-phenylisoxazolin-5-one in order to explain the differences found in the solid phase between 3-aryl and 4-aryl derivatives of N-methylisoxazolin-5one.
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Schedule a callMore From: Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry
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