Acta Crystallographica Section E 2011-01-01

5-Fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol.

Izabela D Madura, Agnieszka Adamczyk-Woźniak, Michał Jakubczyk, Andrzej Sporzyński

文献索引：Acta Crystallogr. Sect. E Struct. Rep. Online 67(Pt 2) , o414-5, (2011)

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摘要

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.