6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde

In the title compound, C(11)H(7)ClO(3), a chlorinated and methyl­ated 3-formyl­chromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0670 Å), with the largest deviation from the least-squares plane [0.2349 (17) Å] being for the pyran carbonyl O 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:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120566/
https://www.ncbi.nlm.nih.gov/pubmed/25161585
http://dx.doi.org/10.1107/S1600536814014226
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author Ishikawa, Yoshinobu
author_facet Ishikawa, Yoshinobu
author_sort Ishikawa, Yoshinobu
collection PubMed
description In the title compound, C(11)H(7)ClO(3), a chlorinated and methyl­ated 3-formyl­chromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0670 Å), with the largest deviation from the least-squares plane [0.2349 (17) Å] being for the pyran carbonyl O atom. In the crystal, mol­ecules are linked through π–π stacking inter­actions along the a axis [centroid–centroid distance between the pyran rings = 3.824 (6) Å] and two stacks are connected by type I halogen–halogen inter­actions between the Cl atoms [Cl⋯Cl = 3.397 (3) Å].
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spelling pubmed-41205662014-08-26 6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde Ishikawa, Yoshinobu Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(7)ClO(3), a chlorinated and methyl­ated 3-formyl­chromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0670 Å), with the largest deviation from the least-squares plane [0.2349 (17) Å] being for the pyran carbonyl O atom. In the crystal, mol­ecules are linked through π–π stacking inter­actions along the a axis [centroid–centroid distance between the pyran rings = 3.824 (6) Å] and two stacks are connected by type I halogen–halogen inter­actions between the Cl atoms [Cl⋯Cl = 3.397 (3) Å]. International Union of Crystallography 2014-06-21 /pmc/articles/PMC4120566/ /pubmed/25161585 http://dx.doi.org/10.1107/S1600536814014226 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-methyl-4-oxo-4H-chromene-3-carbaldehyde
title 6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde
title_full 6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde
title_fullStr 6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde
title_full_unstemmed 6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde
title_short 6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde
title_sort 6-chloro-7-methyl-4-oxo-4h-chromene-3-carbaldehyde
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120566/
https://www.ncbi.nlm.nih.gov/pubmed/25161585
http://dx.doi.org/10.1107/S1600536814014226
work_keys_str_mv AT ishikawayoshinobu 6chloro7methyl4oxo4hchromene3carbaldehyde

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