Wei Mei-Yan, Liu Zhen, Zhang Xiu-Li, Shao Chang-Lun, Wang Chang-Yun
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 11;65(Pt 4):o734-5. doi: 10.1107/S160053680900806X.
The title compound, C(13)H(16)O(4), was isolated from culture extracts of the endophytic fungus Cephalosporium sp. The ester and ether substituents are twisted only slightly out of the benzene ring plane, making dihedral angles of 2.16 (2) and 3.63 (5)°, respectively. The non-H atoms of all three substituents are almost coplanar with the benzene ring, with an r.m.s. deviation of 0.0284 Å from the mean plane through all non-H atoms in the structure. A weak intra-molecular O-H⋯O hydrogen bond contributes to this conformation. In the crystal structure, mol-ecules are linked into a one-dimensional chain by inter-molecular O-H⋯O hydrogen bonds. Weak non-classical C-H⋯π contacts are also observed in the structure.
标题化合物C(13)H(16)O(4)是从内生真菌头孢霉属(Cephalosporium sp.)的培养提取物中分离得到的。酯基和醚基取代基仅略微扭曲出苯环平面,二面角分别为2.16 (2)°和3.63 (5)°。所有三个取代基的非氢原子几乎与苯环共平面,相对于结构中所有非氢原子的平均平面的均方根偏差为0.0284 Å。一个弱的分子内O-H⋯O氢键促成了这种构象。在晶体结构中,分子通过分子间O-H⋯O氢键连接成一维链。结构中还观察到弱的非经典C-H⋯π接触。