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

In the crystal structure of the title compound, C(7)H(6)BFO(2), a broad-spectrum anti­fungal drug (AN2690), the planar [maximum deviation 0.035 (1) Å] mol­ecules form centrosymmetric R (2) (2)(8) dimers via strong O—H⋯O hydrogen bonds. The dimers are arranged into layers by weak inter­molecular C—H⋯...

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Autores principales: Madura, Izabela D., Adamczyk-Woźniak, Agnieszka, Jakubczyk, Michał, Sporzyński, Andrzej
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051614/
https://www.ncbi.nlm.nih.gov/pubmed/21523085
http://dx.doi.org/10.1107/S1600536811001632
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author Madura, Izabela D.
Adamczyk-Woźniak, Agnieszka
Jakubczyk, Michał
Sporzyński, Andrzej
author_facet Madura, Izabela D.
Adamczyk-Woźniak, Agnieszka
Jakubczyk, Michał
Sporzyński, Andrzej
author_sort Madura, Izabela D.
collection PubMed
description In the crystal structure of the title compound, C(7)H(6)BFO(2), a broad-spectrum anti­fungal drug (AN2690), the planar [maximum deviation 0.035 (1) Å] mol­ecules form centrosymmetric R (2) (2)(8) dimers via strong O—H⋯O hydrogen bonds. The dimers are arranged into layers by weak inter­molecular C—H⋯O and C—H⋯F hydrogen bonds. The symmetry of this two-dimensional supra­molecular assembly can be described by the layer group p [Image: see text] 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 inter­actions build up the three-dimensional structure.
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spelling pubmed-30516142011-04-26 5-Fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol Madura, Izabela D. Adamczyk-Woźniak, Agnieszka Jakubczyk, Michał Sporzyński, Andrzej Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(7)H(6)BFO(2), a broad-spectrum anti­fungal drug (AN2690), the planar [maximum deviation 0.035 (1) Å] mol­ecules form centrosymmetric R (2) (2)(8) dimers via strong O—H⋯O hydrogen bonds. The dimers are arranged into layers by weak inter­molecular C—H⋯O and C—H⋯F hydrogen bonds. The symmetry of this two-dimensional supra­molecular assembly can be described by the layer group p [Image: see text] 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 inter­actions build up the three-dimensional structure. International Union of Crystallography 2011-01-15 /pmc/articles/PMC3051614/ /pubmed/21523085 http://dx.doi.org/10.1107/S1600536811001632 Text en © Madura et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Madura, Izabela D.
Adamczyk-Woźniak, Agnieszka
Jakubczyk, Michał
Sporzyński, Andrzej
5-Fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol
title 5-Fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol
title_full 5-Fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol
title_fullStr 5-Fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol
title_full_unstemmed 5-Fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol
title_short 5-Fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol
title_sort 5-fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051614/
https://www.ncbi.nlm.nih.gov/pubmed/21523085
http://dx.doi.org/10.1107/S1600536811001632
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