Saeed Aamer, Simpson Jim, Stanley Roderick G
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 25;65(Pt 4):o867-8. doi: 10.1107/S160053680900926X.
In the title compound, C(17)H(17)FO(3), the benzene ring of the isochroman unit is inclined at 84.96 (7)° to the fluoro-benzene ring plane, and the pyran ring adopts a half-boat conformation. In the crystal structure, C-H⋯O hydrogen bonds link mol-ecules into rows along the c axis, while C-H⋯O inter-actions and C-H⋯F hydrogen bonds to the fluorine acceptor stack the mol-ecules down the b axis. In addition, the crystal structure exhibits a weak C-H⋯π inter-action between a methyl H atom of the meth-oxy group and the dimethoxy-benzene ring of an adjacent mol-ecule.
在标题化合物C(17)H(17)FO(3)中,异色满单元的苯环与氟苯环平面呈84.96 (7)°倾斜,吡喃环呈半船式构象。在晶体结构中,C—H⋯O氢键将分子沿c轴连接成排,而C—H⋯O相互作用以及与氟受体的C—H⋯F氢键使分子沿b轴堆积。此外,晶体结构在甲氧基的一个甲基H原子与相邻分子的二甲氧基苯环之间表现出弱的C—H⋯π相互作用。