3-羟基-2-(4-羟基-3-甲氧基苯甲基)-5,5-二甲基环己-2-烯酮的晶体结构
Crystal structure of 3-hy-droxy-2-(4-hy-droxy-3-meth-oxy-phenyl-methyl)-5,5-di-methyl-cyclo-hex-2-enone.
作者信息
Stikute Agnese, Skestere Karina, Mierina Inese, Mishnev Anatoly, Jure Mara
机构信息
Institute of Technology of Organic Chemistry, Faculty of Materials Science and Applied Chemistry, Riga Technical University, P. Valdena Str. 3/7, Riga, LV-1048, Latvia.
Latvian Institute of Organic Synthesis, Aizkraukles Str. 21, Riga, LV-1006, Latvia.
出版信息
Acta Crystallogr E Crystallogr Commun. 2018 May 15;74(Pt 6):796-798. doi: 10.1107/S2056989018006941. eCollection 2018 Jun 1.
In the title compound, CHO, a new starting compound for the synthesis of various heterocycles, the partially saturated six-membered ring adopts a sofa conformation. An intra-molecular O-H⋯O hydrogen bond is observed in the guaiacol residue. In the crystal, mol-ecules are assembled into a sheet structure parallel to the plane O-H⋯O hydrogen bonds. The hydrogen-bond pattern is described by an (28) graph-set motif. The sheets are further linked by C-H⋯O hydrogen bonds into a three-dimensional network.
在标题化合物CHO（一种用于合成各种杂环的新型起始化合物）中，部分饱和的六元环呈沙发构象。在愈创木酚残基中观察到分子内O-H⋯O氢键。在晶体中，分子通过O-H⋯O氢键组装成平行于 平面的片状结构。氢键模式由（28）图集基序描述。这些片层通过C-H⋯O氢键进一步连接成三维网络。
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