4-溴-2-(羟甲基)苯酚：螺旋氢键、R(2)(2)(12)环和C-H...π相互作用。
4-bromo-2-(hydroxymethyl)phenol: helical hydrogen bonding, R(2)(2)(12) rings and C--H...pi interactions.
作者信息
Cox Philip J
机构信息
School of Pharmacy, The Robert Gordon University, Schoolhill, Aberdeen AB10 1FR, Scotland.
出版信息
Acta Crystallogr C. 2003 Sep;59(Pt 9):o512-3. doi: 10.1107/s0108270103013635. Epub 2003 Aug 9.
PMID:12944661
Abstract
Apart from the O and H atoms of the hydroxymethyl group, molecules of the title compound, C(7)H(7)BrO(2), are essentially planar. Both O atoms act as hydrogen-bond donors and acceptors, resulting in helical hydrogen bonding in the direction of the b axis and the formation of R(2)(2)(12) rings. Weaker C--H...pi interactions are also present.
摘要
除了羟甲基的O和H原子外，标题化合物C₇H₇BrO₂的分子基本呈平面状。两个O原子均作为氢键供体和受体，导致在b轴方向上形成螺旋氢键并形成R₂²¹²环。还存在较弱的C—H…π相互作用。
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