6-Bromo-4-oxo-4H-chromene-3-carb­alde­hyde

In the title compound, C(10)H(5)BrO(3), a brominated 3-formyl­chromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0420 Å), with the largest deviation from its mean plane [0.109 (2) Å] being found for the ring-bound carbonyl O atom. In the crystal, mol­ecules are linke...

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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/PMC4011302/
https://www.ncbi.nlm.nih.gov/pubmed/24860363
http://dx.doi.org/10.1107/S160053681400796X
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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)BrO(3), a brominated 3-formyl­chromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0420 Å), with the largest deviation from its mean plane [0.109 (2) Å] being found for the ring-bound carbonyl O atom. In the crystal, mol­ecules are linked through halogen bonds [Br⋯O = 3.191 (2) Å, C—Br⋯O = 167.32 (10)° and C=O⋯Br = 168.4 (2)°] along [101]. Mol­ecules are assembled into layers parallel to (101) via π–π stacking inter­actions along the b axis [shortest centroid–centroid distance between the pyran and benzene rings = 3.495 (2) Å].
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spelling pubmed-40113022014-05-23 6-Bromo-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)BrO(3), a brominated 3-formyl­chromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0420 Å), with the largest deviation from its mean plane [0.109 (2) Å] being found for the ring-bound carbonyl O atom. In the crystal, mol­ecules are linked through halogen bonds [Br⋯O = 3.191 (2) Å, C—Br⋯O = 167.32 (10)° and C=O⋯Br = 168.4 (2)°] along [101]. Mol­ecules are assembled into layers parallel to (101) via π–π stacking inter­actions along the b axis [shortest centroid–centroid distance between the pyran and benzene rings = 3.495 (2) Å]. International Union of Crystallography 2014-04-16 /pmc/articles/PMC4011302/ /pubmed/24860363 http://dx.doi.org/10.1107/S160053681400796X 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-Bromo-4-oxo-4H-chromene-3-carb­alde­hyde
title 6-Bromo-4-oxo-4H-chromene-3-carb­alde­hyde
title_full 6-Bromo-4-oxo-4H-chromene-3-carb­alde­hyde
title_fullStr 6-Bromo-4-oxo-4H-chromene-3-carb­alde­hyde
title_full_unstemmed 6-Bromo-4-oxo-4H-chromene-3-carb­alde­hyde
title_short 6-Bromo-4-oxo-4H-chromene-3-carb­alde­hyde
title_sort 6-bromo-4-oxo-4h-chromene-3-carb­alde­hyde
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011302/
https://www.ncbi.nlm.nih.gov/pubmed/24860363
http://dx.doi.org/10.1107/S160053681400796X
work_keys_str_mv AT ishikawayoshinobu 6bromo4oxo4hchromene3carbaldehyde

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