6-羟基-2H-1,3-苯并二恶唑-5-甲醛
6-Hy-droxy-2H-1,3-benzodioxole-5-carbaldehyde.
作者信息
Momin Mehbub I K, Koorbanally Neil, Ramjugernath Deresh, Bala Muhammad D
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2681. doi: 10.1107/S1600536811037019. Epub 2011 Sep 17.
The title compound, C(8)H(6)O(4), crystallizes with two independent mol-ecules in the asymmetric unit. The benzodioxole ring system is almost planar in each mol-ecule, with maximum deviations of 0.008 (1) and 0.007 (1) Å. The mol-ecular structure is characterized by strong electrostatic intra-molecular O⋯O contacts [2.649 (3) Å] and intra-molecular O-H⋯O hydrogen-bonding inter-actions. Inter-molecular O⋯O inter-actions [3.001 (2) Å] are observed in the crystal structure.
标题化合物C₈H₆O₄在不对称单元中结晶出两个独立的分子。在每个分子中，苯并二氧杂环系统几乎是平面的，最大偏差为0.008 (1) Å和0.007 (1) Å。分子结构的特征是存在强静电分子内O⋯O接触[2.649 (3) Å]和分子内O—H⋯O氢键相互作用。在晶体结构中观察到分子间O⋯O相互作用[3.001 (2) Å]。
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