Song Yang, Parkin Sean, Lehmler Hans-Joachim
Acta Crystallogr Sect E Struct Rep Online. 2010 Jan 30;66(Pt 2):o487. doi: 10.1107/S1600536810002977.
The halogen atoms of the title compound, C(8)H(6)BrCl(3)O(2), are located within the plane of the benzene ring [r.m.s. deviation = 0.036 (11) Å]. The two meth-oxy groups are twisted out of this plane, with dihedral angles of 84.7 (3) and 68.5 (3)°, and point in opposite directions. The structure is disordered by a non-crystallographic twofold rotation which superimposes Cl and Br at two of the halogen sites. The refined occupancies for the major and minor components are 0.517 (2) and 0.483 (2).
标题化合物C(8)H(6)BrCl(3)O(2)的卤素原子位于苯环平面内[r.m.s.偏差 = 0.036 (11) Å]。两个甲氧基扭转出该平面,二面角分别为84.7 (3)°和68.5 (3)°,且方向相反。该结构因非晶体学二重旋转而无序,在两个卤素位点上Cl和Br相互叠加。主要和次要组分的精修占有率分别为0.517 (2)和0.483 (2)。