Goswami Shailesh K, Hanton Lyall R, McAdam C John, Moratti Stephen C, Simpson Jim
Department of Chemistry, University of Otago, PO Box 56, Dunedin, New Zealand.
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2332-3. doi: 10.1107/S1600536812029704. Epub 2012 Jul 4.
The title compound, C(11)H(12)O(3), is essentially planar, with an r.m.s. deviation of 0.179 Å from the mean plane through the 14 non-H atoms in the mol-ecule. The benzene ring and the pyranone mean plane are inclined at 13.12 (6)° to one another and the pyran-one ring adopts a flattened chair conformation. In the crystal, O-H⋯O hydrogen bonds and C-H⋯O contacts form R(1) (2)(6) rings and link mol-ecules into chains along b. Additional C-H⋯O contacts generate inversion dimers, with R(2) (2)(8) ring motifs, and form sheets parallel to (-102) which are linked by C-H⋯π interactions.
标题化合物C(11)H(12)O(3)基本呈平面状，分子中14个非氢原子所在的平均平面的均方根偏差为0.179 Å。苯环和吡喃酮的平均平面相互倾斜13.12 (6)°，吡喃酮环呈扁平椅式构象。在晶体中，O—H⋯O氢键和C—H⋯O接触形成R(1) (2)(6)环，并将分子沿b轴连接成链。额外的C—H⋯O接触产生具有R(2) (2)(8)环模式的反演二聚体，并形成平行于(-102)的片层，这些片层通过C—H⋯π相互作用相连。
