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6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde
In the title compound, C(10)H(4)ClFO(3), a chlorinated and fluorinated 3-formylchromone derivative, all atoms are essentially coplanar (r.m.s. = 0.0336 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.062 (2) Å] being for a benzene-ring C atom. In the crystal, mol...
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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/PMC4120572/ https://www.ncbi.nlm.nih.gov/pubmed/25161600 http://dx.doi.org/10.1107/S1600536814014706 |
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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(4)ClFO(3), a chlorinated and fluorinated 3-formylchromone derivative, all atoms are essentially coplanar (r.m.s. = 0.0336 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.062 (2) Å] being for a benzene-ring C atom. In the crystal, molecules are linked through stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.958 (3) Å and interplanar distance = 3.259 (3) Å], C—H⋯O hydrogen bonds, and short C⋯O contacts [2.879 (3) Å]. Unsymmetrical halogen–halogen interactions between the Cl and F atoms [Cl⋯F = 3.049 (3) Å, C—Cl⋯F = 148.10 (9)° and C—F⋯Cl = 162.06 (13)°] are also formed, giving a meandering two-dimensional network along the a axis. |
format | Online Article Text |
id | pubmed-4120572 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41205722014-08-26 6-Chloro-7-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(4)ClFO(3), a chlorinated and fluorinated 3-formylchromone derivative, all atoms are essentially coplanar (r.m.s. = 0.0336 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.062 (2) Å] being for a benzene-ring C atom. In the crystal, molecules are linked through stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.958 (3) Å and interplanar distance = 3.259 (3) Å], C—H⋯O hydrogen bonds, and short C⋯O contacts [2.879 (3) Å]. Unsymmetrical halogen–halogen interactions between the Cl and F atoms [Cl⋯F = 3.049 (3) Å, C—Cl⋯F = 148.10 (9)° and C—F⋯Cl = 162.06 (13)°] are also formed, giving a meandering two-dimensional network along the a axis. International Union of Crystallography 2014-06-25 /pmc/articles/PMC4120572/ /pubmed/25161600 http://dx.doi.org/10.1107/S1600536814014706 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 6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde |
title | 6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde |
title_full | 6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde |
title_fullStr | 6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde |
title_full_unstemmed | 6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde |
title_short | 6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde |
title_sort | 6-chloro-7-fluoro-4-oxo-4h-chromene-3-carbaldehyde |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120572/ https://www.ncbi.nlm.nih.gov/pubmed/25161600 http://dx.doi.org/10.1107/S1600536814014706 |
work_keys_str_mv | AT ishikawayoshinobu 6chloro7fluoro4oxo4hchromene3carbaldehyde |