Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 9 (September 2003)

Acta Cryst. (2003). C59, o516-o519 [doi:10.1107/S0108270103015713]

2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol and 3-phenyl-2,1-benzoxazole

R. A. Howie, A. Jabbar, J. R. Lewis, S. S. Nizami and C. F. Ritchie

Abstract: The title compounds, C₁₅H₁₃NO₄, (I), and C₁₃H₉NO, (II), are produced, along with the corresponding anilines, by the reduction of the appropriate o-nitrobenzophenones. In (I), the planar benzisoxazole and phenol fragments are tilted relative to one another by a rotation of 53.02 (14)° about the bond joining them, and the molecules are linked into chains by phenol O-HN and phenyl C-HO_oxazole hydrogen bonds. The cell of (II) (space group I2/c) contains eight molecules in general positions, four more in the 2b sites, with twofold axial symmetry that induces a degree of disorder, and a further four as centrosymmetric pairs of complete molecules, each with an occupancy of one-half. The relative tilt of the planar fragments varies slightly from one molecule to another but is much less than that in (I), ranging from 8.8 (8) to 12.58 (15)°.

Formula: C₁₅H₁₃NO₄ and C₁₃H₉NO

Online 9 August 2003


	Structure factor file (CIF format) (69.2 kbytes) Contains datablock I

	Structure factor file (CIF format) (174.2 kbytes) Contains datablock II

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