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

In the title compound, C(10)H(5)IO(3), an iodinated 3-formyl­chromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0259 Å), with the largest deviation from the least-squares plane [0.056 (5) Å] being found for the formyl O atom. In the crystal, mol­ecules are linked thr...

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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/PMC4120610/
https://www.ncbi.nlm.nih.gov/pubmed/25161541
http://dx.doi.org/10.1107/S1600536814012471
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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)IO(3), an iodinated 3-formyl­chromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0259 Å), with the largest deviation from the least-squares plane [0.056 (5) Å] being found for the formyl O atom. In the crystal, mol­ecules are linked through I⋯O halogen bonds [I⋯O = 3.245 (4) Å, C—I⋯O = 165.95 (13) and C=O⋯I = 169.7 (4)°] along [101]. The supra­molecular chains are assembled into layers via π–π stacking inter­actions along the b axis [shortest centroid–centroid distance between the pyran and benzene rings = 3.558 (3) Å].
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spelling pubmed-41206102014-08-26 6-Iodo-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)IO(3), an iodinated 3-formyl­chromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0259 Å), with the largest deviation from the least-squares plane [0.056 (5) Å] being found for the formyl O atom. In the crystal, mol­ecules are linked through I⋯O halogen bonds [I⋯O = 3.245 (4) Å, C—I⋯O = 165.95 (13) and C=O⋯I = 169.7 (4)°] along [101]. The supra­molecular chains are assembled into layers via π–π stacking inter­actions along the b axis [shortest centroid–centroid distance between the pyran and benzene rings = 3.558 (3) Å]. International Union of Crystallography 2014-06-04 /pmc/articles/PMC4120610/ /pubmed/25161541 http://dx.doi.org/10.1107/S1600536814012471 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-Iodo-4-oxo-4H-chromene-3-carbaldehyde
title 6-Iodo-4-oxo-4H-chromene-3-carbaldehyde
title_full 6-Iodo-4-oxo-4H-chromene-3-carbaldehyde
title_fullStr 6-Iodo-4-oxo-4H-chromene-3-carbaldehyde
title_full_unstemmed 6-Iodo-4-oxo-4H-chromene-3-carbaldehyde
title_short 6-Iodo-4-oxo-4H-chromene-3-carbaldehyde
title_sort 6-iodo-4-oxo-4h-chromene-3-carbaldehyde
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120610/
https://www.ncbi.nlm.nih.gov/pubmed/25161541
http://dx.doi.org/10.1107/S1600536814012471
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