Jusoh Samsiah, Din Laily B, Zakaria Zuriati, Khaledi Hamid
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2274. doi: 10.1107/S1600536812028334. Epub 2012 Jun 30.
In the title compound, C(13)H(12)O(3), the pyran ring adopts a half-chair conformation with a C atom deviating from the least-squares plane of the remaining ring atoms by 0.606 (2) Å. This plane and that of the benzene ring make a dihedral angle of 44.18 (6)°. In the crystal, mol-ecules are linked through O-H⋯O hydrogen bonds into infinite chains along the b axis, and these chains are cross-linked by C-H⋯O hydrogen bonded into sheets lying parallel to the bc plane. The layers are further connected via C-H⋯π inter-actions to form a three-dimensional supra-molecular structure.
在标题化合物C₁₃H₁₂O₃中,吡喃环呈半椅式构象,一个碳原子偏离其余环原子的最小二乘平面0.606 (2) Å。该平面与苯环平面的二面角为44.18 (6)°。在晶体中,分子通过O—H⋯O氢键沿b轴连接成无限链,这些链通过C—H⋯O氢键交联成平行于bc平面的片层。这些层通过C—H⋯π相互作用进一步连接形成三维超分子结构。