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

ABSTRACT: 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.

SUBMITTER: Madura ID

PROVIDER: S-EPMC3051614 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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

Madura Izabela D ID Adamczyk-Woźniak Agnieszka A Jakubczyk Michał M Sporzyński Andrzej A

Acta crystallographica. Section E, Structure reports online 20110115 Pt 2

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-dime ...[more]

PMID: 21523085

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