Bond Marcus R, Hathaway Bruce A, Kilgore Uriah J
Department of Chemistry, Southeast Missouri State University, Cape Girardeau, MO 63701, USA.
Acta Crystallogr C. 2012 Apr;68(Pt 4):o179-82. doi: 10.1107/S0108270112013169. Epub 2012 Mar 31.
The structure of the title compound, C(18)H(22)O(2), contains two non-equivalent molecules which differ primarily in the location of the -OH groups on opposite sides or on the same side of the molecular plane. Inversion-symmetric pairs of molecules form intermolecular O-H...O hydrogen-bonded tetrameric synthons that link non-equivalent molecules into an approximately square double layer parallel to (-102). Recently reported fluorinated analogues [Kane, Meyers, Yu, Gerken & Etzkorn (2011). Eur. J. Org. Chem. pp. 2969-2980] have significantly different structures of varying complexity that incorporate intramolecular hydrogen bonding and suggest that further study of structure versus substituents in vicinal dialkynols could be fruitful.
标题化合物C(18)H(22)O(2)的结构包含两个不等价分子，它们的主要区别在于-OH基团位于分子平面的相对侧或同一侧。分子的反演对称对形成分子间O-H...O氢键连接的四聚体合成子，将不等价分子连接成平行于(-102)的近似方形双层。最近报道的氟化类似物[凯恩、迈尔斯、于、格肯和埃茨科恩(2011年)。欧洲有机化学杂志，第2969 - 2980页]具有显著不同的结构，其结构复杂性各异，包含分子内氢键，并表明对邻二炔醇中结构与取代基的进一步研究可能会有成果。
