5-氟-1,3-二氢-2,1-苯并硼唑-1-醇
5-Fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol.
作者信息
Madura Izabela D, Adamczyk-Woźniak Agnieszka, Jakubczyk Michał, Sporzyński Andrzej
机构信息
Warsaw University of Technology, Faculty of Chemistry, Noakowskiego 3, 00-664 Warszawa, Poland.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 15;67(Pt 2):o414-5. doi: 10.1107/S1600536811001632.
In the crystal structure of the title compound, C(7)H(6)BFO(2), a broad-spectrum anti-fungal drug (AN2690), the planar [maximum deviation 0.035 (1) Å] mol-ecules form centrosymmetric R(2) (2)(8) dimers via strong O-H⋯O hydrogen bonds. The dimers are arranged into layers by weak inter-molecular C-H⋯O and C-H⋯F hydrogen bonds. The symmetry of this two-dimensional supra-molecular assembly can be described by the layer group p and topologically classified as a simple uninodal four-connected two-dimensional network of a (4.4.4.4.6.6) topology. Further weak C-H⋯O inter-actions build up the three-dimensional structure.
在标题化合物C₇H₆BFO₂（一种广谱抗真菌药物AN2690）的晶体结构中，平面分子[最大偏差0.035 (1) Å]通过强O-H⋯O氢键形成中心对称的R₂²(8)二聚体。这些二聚体通过弱分子间C-H⋯O和C-H⋯F氢键排列成层。这种二维超分子组装的对称性可以用层群p来描述，并且在拓扑学上归类为具有(4.4.4.4.6.6)拓扑结构的简单单节点四连接二维网络。进一步的弱C-H⋯O相互作用构建了三维结构。
Zotero 插件