Dutkiewicz Grzegorz, Siddaraju B P, Yathirajan H S, Narayana B, Kubicki Maciej
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o1024. doi: 10.1107/S1600536811011482. Epub 2011 Mar 31.
The overall shape of the mol-ecule of the title compound, C(17)H(15)BrO(2), can be described by the dihedral angles between three planar fragments: 1-bromo-2-meth-oxy-phenyl ring [maximum deviation = 0.003 (2) Å], the central prop-2-en-1-one chain [maximum deviation = 0.005 (2) Å], and the methyl-phenyl ring [maximum deviation = 0.004 (2) Å]. The terminal planes are twisted by 10.37 (12)°, while the central plane is almost coplanar with the methyl-phenyl ring [3.30 (13)°], but the dihedral angle with the other phenyl ring is significantly larger [8.76 (16)°]. In the crystal, mol-ecules are linked into chains along [001] by three C-H⋯O hydrogen bonds. These chains inter-act with each other by means of weak π-π contacts [centroid-centroid distances = 3.73 (1) and 3.44 (1) Å]. An inter-molecular C-H⋯Br inter-action also occurs.
标题化合物C(17)H(15)BrO(2)分子的整体形状可由三个平面片段之间的二面角来描述：1-溴-2-甲氧基苯环[最大偏差 = 0.003 (2) Å]、中心的2-丙烯-1-酮链[最大偏差 = 0.005 (2) Å]和甲基苯环[最大偏差 = 0.004 (2) Å]。末端平面扭转了10.37 (12)°，而中心平面与甲基苯环几乎共面[3.30 (13)°]，但与另一个苯环的二面角明显更大[8.76 (16)°]。在晶体中，分子通过三个C-H⋯O氢键沿[001]方向连接成链。这些链通过弱π-π相互作用相互作用[质心-质心距离 = 3.73 (1)和3.44 (1) Å]。还存在分子间C-H⋯Br相互作用。
