Yang Shu-Ping, Han Li-Jun, He Xin-Ran, Chen Li-Juan
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3382. doi: 10.1107/S1600536811048835. Epub 2011 Nov 19.
In the title compound, C(14)H(12)O(5), the benzopyran-2-one ring system is approximately planar [maximum deviation = 0.018 (1) Å]; the mean plane is oriented at dihedral angles of 52.26 (11) and 72.92 (7)°, respectively, to the acetyl and acet-oxy groups. In the crystal, π-π stacking is observed between parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.6774 (17) Å. Inter-molecular weak C-H⋯O hydrogen bonding, and C=O⋯C=O [O⋯C = 3.058 (3) Å] and C=O⋯π [O⋯centroid = 3.328 (2) Å] inter-actions occur in the crystal structure.
在标题化合物C₁₄H₁₂O₅中，苯并吡喃 - 2 - 酮环系近似平面 [最大偏差 = 0.018 (1) Å]；平均平面分别与乙酰基和乙酰氧基呈52.26 (11)°和72.92 (7)°的二面角。在晶体中，观察到相邻分子的平行苯环之间存在π - π堆积，质心 - 质心距离为3.6774 (17) Å。晶体结构中存在分子间弱C - H⋯O氢键，以及C = O⋯C = O [O⋯C = 3.058 (3) Å]和C = O⋯π [O⋯质心 = 3.328 (2) Å]相互作用。
