Howie R Alan, Jabbar Abdul, Lewis John R, Nizami Shaikh S, Ritchie Craig F
Department of Chemistry, University of Aberdeen, Meston Walk, Aberdeen AB24 3UE, Scotland.
Acta Crystallogr C. 2003 Sep;59(Pt 9):o516-9. doi: 10.1107/s0108270103015713. Epub 2003 Aug 9.
The title compounds, C(15)H(13)NO(4), (I), and C(13)H(9)NO, (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) degrees about the bond joining them, and the molecules are linked into chains by phenol O--H...N and phenyl C--H...O(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) degrees.
通过相应的邻硝基二苯甲酮还原反应生成了标题化合物C(15)H(13)NO(4)（I）和C(13)H(9)NO（II）以及相应的苯胺。在（I）中，平面苯并异恶唑和苯酚片段通过围绕连接它们的键旋转53.02（14）度而相互倾斜，并且分子通过苯酚O--H...N和苯基C--H...O（异恶唑）氢键连接成链。（II）的晶胞（空间群I2/c）通常位置包含八个分子，2b位点还有四个，具有二重轴对称性，这会导致一定程度的无序，另外还有四个是中心对称的完整分子对，每个的占有率为二分之一。平面片段的相对倾斜度在一个分子与另一个分子之间略有变化，但远小于（I）中的倾斜度，范围为8.8（8）至12.58（15）度。
