4,4'-二溴-2',5'-二甲氧基-[1,1'-联苯]-2,5-二酮（BrHBQBr）的晶体结构
Crystal structure of 4,4'-di-bromo-2',5'-dimeth-oxy-[1,1'-biphen-yl]-2,5-dione (BrHBQBr).
作者信息
Meany Joseph E, Kelley Steven P, Metzger Robert M, Rogers Robin D, Woski Stephen A
机构信息
Department of Chemistry, The University of Alabama, Box 870336, Tuscaloosa, AL 35487-0336, USA.
Department of Chemistry, McGill University, 801 Sherbrooke St. West, Montreal, Quebec, Canada, H3A 0B8.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Nov 4;71(Pt 12):1454-6. doi: 10.1107/S2056989015020472. eCollection 2015 Dec 1.
In the title compound, C14H10Br2O4, the dihedral angle between the aromatic rings is 67.29 (19)°. Both meth-oxy-group C atoms lie close to the plane of their attached ring [deviations = -0.130 (4) and 0.005 (5) Å]. In the crystal, mol-ecules pack in a centrosymmetric fashion and inter-act via a mixture of weak π-π stacking inter-actions [centroid-centoid separations = 4.044 (2) and 4.063 (3) Å], weak C-H⋯O hydrogen bonding, and Br⋯Br halogen bonding. This induces a geometry quite different than that predicted by theory.
在标题化合物C₁₄H₁₀Br₂O₄中，芳环之间的二面角为67.29 (19)°。两个甲氧基的C原子都靠近与其相连环的平面[偏差分别为-0.130 (4) 和0.005 (5) Å]。在晶体中，分子以中心对称方式堆积，并通过弱π-π堆积相互作用[质心-质心间距 = 4.044 (2) 和4.063 (3) Å]、弱C-H⋯O氢键和Br⋯Br卤键的混合相互作用。这导致其几何结构与理论预测的有很大不同。
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