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8-Fluoro-4-oxo-4H-chromene-3-carbaldehyde
In the title compound, C(10)H(5)FO(3), the non-H atoms of the 8-fluorochromone unit are essentially coplanar (r.m.s. deviation = 0.0259 Å), with a largest deviation from the mean plane of 0.0660 (12) Å for the chromone carbonyl O atom. The formyl group is twisted with respect to the attached ring [...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2014
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120633/ https://www.ncbi.nlm.nih.gov/pubmed/25161562 http://dx.doi.org/10.1107/S1600536814013208 |
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author | Ishikawa, Yoshinobu |
author_facet | Ishikawa, Yoshinobu |
author_sort | Ishikawa, Yoshinobu |
collection | PubMed |
description | In the title compound, C(10)H(5)FO(3), the non-H atoms of the 8-fluorochromone unit are essentially coplanar (r.m.s. deviation = 0.0259 Å), with a largest deviation from the mean plane of 0.0660 (12) Å for the chromone carbonyl O atom. The formyl group is twisted with respect to the attached ring [C—C—C—O torsion angles = −11.00 (19) and 170.81 (11)°]. In the crystal, molecules are linked via weak C—H⋯O hydrogen bonds along the a axis and [-101], forming corrugated layers parallel to (010). In addition, π–π stacking interactions [centroid–centroid distance between the planes of the pyran and benzene rings = 3.519 (2) Å] are observed between these layers. |
format | Online Article Text |
id | pubmed-4120633 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41206332014-08-26 8-Fluoro-4-oxo-4H-chromene-3-carbaldehyde Ishikawa, Yoshinobu Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(10)H(5)FO(3), the non-H atoms of the 8-fluorochromone unit are essentially coplanar (r.m.s. deviation = 0.0259 Å), with a largest deviation from the mean plane of 0.0660 (12) Å for the chromone carbonyl O atom. The formyl group is twisted with respect to the attached ring [C—C—C—O torsion angles = −11.00 (19) and 170.81 (11)°]. In the crystal, molecules are linked via weak C—H⋯O hydrogen bonds along the a axis and [-101], forming corrugated layers parallel to (010). In addition, π–π stacking interactions [centroid–centroid distance between the planes of the pyran and benzene rings = 3.519 (2) Å] are observed between these layers. International Union of Crystallography 2014-06-14 /pmc/articles/PMC4120633/ /pubmed/25161562 http://dx.doi.org/10.1107/S1600536814013208 Text en © Yoshinobu Ishikawa 2014 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 Ishikawa, Yoshinobu 8-Fluoro-4-oxo-4H-chromene-3-carbaldehyde |
title | 8-Fluoro-4-oxo-4H-chromene-3-carbaldehyde |
title_full | 8-Fluoro-4-oxo-4H-chromene-3-carbaldehyde |
title_fullStr | 8-Fluoro-4-oxo-4H-chromene-3-carbaldehyde |
title_full_unstemmed | 8-Fluoro-4-oxo-4H-chromene-3-carbaldehyde |
title_short | 8-Fluoro-4-oxo-4H-chromene-3-carbaldehyde |
title_sort | 8-fluoro-4-oxo-4h-chromene-3-carbaldehyde |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120633/ https://www.ncbi.nlm.nih.gov/pubmed/25161562 http://dx.doi.org/10.1107/S1600536814013208 |
work_keys_str_mv | AT ishikawayoshinobu 8fluoro4oxo4hchromene3carbaldehyde |