Mohamed Shaaban K, Horton Peter N, Akkurt Mehmet, Albayati Mustafa R, Abdelhamid Antar A
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2364-5. doi: 10.1107/S1600536812030322. Epub 2012 Jul 7.
The title compound, C(20)H(23)BrN(2)O(2), containing an ibuprofen core, crystallizes with three independent mol-ecules of similar conformation in the asymmetric unit. In these three mol-ecules, the two benzene rings make dihedral angles of 82.7 (2), 71.2 (2) and 78.0 (3)° with respect to each other. The atoms of the isobutyl groups in two of the mol-ecules are disordered over two positions, with site-occupancy ratios of 0.516 (8):0.484 (8) and 0.580 (8):0.420 (8). In the crystal, mol-ecules are linked by N-H⋯O, C-H⋯O and O-H⋯N hydrogen bonds. Furthermore, C-H⋯π inter-actions are also observed.
标题化合物C(20)H(23)BrN(2)O(2)含有布洛芬核心结构，在不对称单元中以三个构象相似的独立分子结晶。在这三个分子中，两个苯环彼此之间的二面角分别为82.7 (2)°、71.2 (2)°和78.0 (3)°。其中两个分子中的异丁基原子在两个位置上无序排列，占位比分别为0.516 (8):0.484 (8)和0.580 (8):0.420 (8)。在晶体中，分子通过N-H⋯O、C-H⋯O和O-H⋯N氢键相连。此外，还观察到C-H⋯π相互作用。
