3-(4-羟基苯基)-7-甲氧基色满-4-酮一水合物
3-(4-Hy-droxy-phen-yl)-7-meth-oxy-chroman-4-one monohydrate.
作者信息
Xiao Zhu-Ping, Peng Zhu-Yun, Luo Qun, Wu Ying, Yang Ye-Ling
机构信息
The Key Laboratory of Ecotourism Application Technology of Hunan Province and College of Chemistry and Chemical Engineering, Jishou University, Jishou 416000, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3212. doi: 10.1107/S1600536811046034. Epub 2011 Nov 5.
In the title compound, C(16)H(14)O(4)·H(2)O, the dihedral angle betwen the benzene rings is 71.4 (6)°. The pyran ring is in a sofa conformation. In the crystal, O-H⋯O hydrogen bonds connect the components into a two-dimensional network parallel to (010), incorporating C(2) (2)(4) and C(2) (2)(11) chains. In addition, weak C-H⋯O, C-H⋯π and π-π stacking inter-actions [centroid-centroid distance = 3.768 (2) Å] are present.
在标题化合物C₁₆H₁₄O₄·H₂O中，苯环之间的二面角为71.4 (6)°。吡喃环呈沙发构象。在晶体中，O—H⋯O氢键将各组分连接成平行于(010)的二维网络，其中包含C₂(2)(4)和C₂(2)(11)链。此外，还存在弱的C—H⋯O、C—H⋯π和π—π堆积相互作用[质心-质心距离 = 3.768 (2) Å]。
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