Cargando…
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⋯...
Autores principales: | , , , |
---|---|
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 |
_version_ | 1782199520893861888 |
---|---|
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. |
format | Text |
id | pubmed-3051614 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT maduraizabelad 5fluoro13dihydro21benzoxaborol1ol AT adamczykwozniakagnieszka 5fluoro13dihydro21benzoxaborol1ol AT jakubczykmichał 5fluoro13dihydro21benzoxaborol1ol AT sporzynskiandrzej 5fluoro13dihydro21benzoxaborol1ol |