Prasath R, Bhavana P, Ng Seik Weng, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2664. doi: 10.1107/S1600536811037044. Epub 2011 Sep 17.
Two independent mol-ecules,1 and 2, with similar conformations comprise the asymmetric unit in the title compound, C(12)H(9)Br(2)NO. The major difference between the mol-ecules relates to the relative orientation of the ketone-methyl groups [the C-C-C-C torsion angles are -1.7 (6) and -16.8 (6)° for mol-ecules 1 and 2, respectively]; in each case, the ketone O atom is directed towards the ring-bound methyl group. The crystal packing comprises layers of mol-ecules, sustained by C-H⋯O and π-π {ring centroid(C(6)) of molecule 2 with NC(5) of molecule 1 [3.584 (3) Å] and NC(5) of molecule 2 [3.615 (3) Å]} interactions. C-H⋯Br contacts also occur.
在标题化合物C₁₂H₉Br₂NO中，两个具有相似构象的独立分子1和2构成不对称单元。分子之间的主要差异在于酮甲基的相对取向[分子1和2的C-C-C-C扭转角分别为-1.7(6)°和-16.8(6)°]；在每种情况下，酮O原子都指向与环相连的甲基。晶体堆积由分子层组成，通过C-H⋯O和π-π相互作用[分子2的环中心(C₆)与分子1的NC₅[3.584(3)Å]和分子2的NC₅[3.615(3)Å]]维持。还存在C-H⋯Br接触。
