Gliński Marek, Wilczkowska Ewa, Madura Izabela D, Zachara Janusz
Warsaw University of Technology, Faculty of Chemistry, Noakowskiego 3, 00-664 Warsaw, Poland.
Acta Crystallogr C. 2007 Dec;63(Pt 12):o720-2. doi: 10.1107/S0108270107046975. Epub 2007 Nov 14.
The asymmetric unit of the title compound, C12H18O2, contains two independent molecules. They differ only slightly in conformation but form completely different intermolecular hydrogen-bonded arrays. One molecule exhibits disorder in the hydroxy group region, but this does not influence the formation of hydrogen bonds. The bulky tert-butyl group on one side of the carbinol C atom and the benzene ring on the other side promote the formation of discrete dimeric motifs via hydrogen-bridged hydroxy groups. Dimers are further joined by strong hydroxy-methoxy O-H...O bonds to form chains with dangling alcohol groups. Weaker intermolecular C-H...O interactions mediate the formation of a two-dimensional network.
标题化合物C12H18O2的不对称单元包含两个独立的分子。它们的构象仅有细微差异，但形成了完全不同的分子间氢键阵列。一个分子在羟基区域表现出无序，但这并不影响氢键的形成。甲醇C原子一侧的庞大叔丁基和另一侧的苯环通过氢键连接的羟基促进了离散二聚体基序的形成。二聚体通过强的羟基-甲氧基O-H...O键进一步连接形成带有悬空醇基的链。较弱的分子间C-H...O相互作用介导了二维网络的形成。
