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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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Autor principal: Ishikawa, Yoshinobu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
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.
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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
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