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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2016
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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. |
format | Online Article Text |
id | pubmed-5137594 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT ishikawayoshinobu crystalstructureof7iodo4oxo4hchromene3carbaldehyde |