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Crystal structure of 7-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 = 0.0344 Å), with the largest deviation from the least-squares plane [0.101 (3) 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 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137594/
https://www.ncbi.nlm.nih.gov/pubmed/27980816
http://dx.doi.org/10.1107/S2056989016016972
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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 = 0.0344 Å), with the largest deviation from the least-squares plane [0.101 (3) Å] being found for the formyl O atom. In the crystal, mol­ecules are linked through stacking inter­actions [centroid–centroid distance between the benzene rings = 3.700 (3) Å] and C—H⋯O hydrogen bonds. Halogen bonds between the I atoms at 7-position and the formyl O atoms [I1⋯O3 = 3.056 (2) Å, C6—I1⋯O3 = 173.18 (8)° and I1⋯O3—C10 = 111.12 (18)°] are also formed along [110], resulting in sheets perpendicular to the c axis, constructed by C—H⋯O hydrogen bonds and I⋯O halogen bonds.
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spelling pubmed-51375942016-12-15 Crystal structure of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde Ishikawa, Yoshinobu Acta Crystallogr E Crystallogr Commun Research Communications 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 = 0.0344 Å), with the largest deviation from the least-squares plane [0.101 (3) Å] being found for the formyl O atom. In the crystal, mol­ecules are linked through stacking inter­actions [centroid–centroid distance between the benzene rings = 3.700 (3) Å] and C—H⋯O hydrogen bonds. Halogen bonds between the I atoms at 7-position and the formyl O atoms [I1⋯O3 = 3.056 (2) Å, C6—I1⋯O3 = 173.18 (8)° and I1⋯O3—C10 = 111.12 (18)°] are also formed along [110], resulting in sheets perpendicular to the c axis, constructed by C—H⋯O hydrogen bonds and I⋯O halogen bonds. International Union of Crystallography 2016-11-04 /pmc/articles/PMC5137594/ /pubmed/27980816 http://dx.doi.org/10.1107/S2056989016016972 Text en © Yoshinobu Ishikawa 2016 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 Research Communications
Ishikawa, Yoshinobu
Crystal structure of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde
title Crystal structure of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde
title_full Crystal structure of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde
title_fullStr Crystal structure of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde
title_full_unstemmed Crystal structure of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde
title_short Crystal structure of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde
title_sort crystal structure of 7-iodo-4-oxo-4h-chromene-3-carbaldehyde
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137594/
https://www.ncbi.nlm.nih.gov/pubmed/27980816
http://dx.doi.org/10.1107/S2056989016016972
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