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7-Chloro-4-oxo-4H-chromene-3-carbaldehyde
In the title compound, C(10)H(5)ClO(3), a chlorinated 3-formylchromone derivative, all atoms are essentially coplanar (r.m.s. deviation = 0.0592 Å for all non-H atoms), with the largest deviation from the least-squares plane [0.1792 (19) Å] being for the chromone-ring carbonyl O atom. In the crysta...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2014
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158550/ https://www.ncbi.nlm.nih.gov/pubmed/25249886 http://dx.doi.org/10.1107/S1600536814014925 |
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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)ClO(3), a chlorinated 3-formylchromone derivative, all atoms are essentially coplanar (r.m.s. deviation = 0.0592 Å for all non-H atoms), with the largest deviation from the least-squares plane [0.1792 (19) Å] being for the chromone-ring carbonyl O atom. In the crystal, molecules are linked through C—H⋯O hydrogen bonds to form tetrads, which are assembled by stacking interactions [centroid–centroid distance between the pyran rings = 3.823 (3) Å] and van der Waals contacts between the Cl atoms [Cl⋯Cl = 3.4483 (16) Å and C—Cl⋯Cl = 171.73 (7)°] into a three-dimensional architecture. |
format | Online Article Text |
id | pubmed-4158550 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41585502014-09-23 7-Chloro-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)ClO(3), a chlorinated 3-formylchromone derivative, all atoms are essentially coplanar (r.m.s. deviation = 0.0592 Å for all non-H atoms), with the largest deviation from the least-squares plane [0.1792 (19) Å] being for the chromone-ring carbonyl O atom. In the crystal, molecules are linked through C—H⋯O hydrogen bonds to form tetrads, which are assembled by stacking interactions [centroid–centroid distance between the pyran rings = 3.823 (3) Å] and van der Waals contacts between the Cl atoms [Cl⋯Cl = 3.4483 (16) Å and C—Cl⋯Cl = 171.73 (7)°] into a three-dimensional architecture. International Union of Crystallography 2014-07-02 /pmc/articles/PMC4158550/ /pubmed/25249886 http://dx.doi.org/10.1107/S1600536814014925 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 7-Chloro-4-oxo-4H-chromene-3-carbaldehyde |
title | 7-Chloro-4-oxo-4H-chromene-3-carbaldehyde |
title_full | 7-Chloro-4-oxo-4H-chromene-3-carbaldehyde |
title_fullStr | 7-Chloro-4-oxo-4H-chromene-3-carbaldehyde |
title_full_unstemmed | 7-Chloro-4-oxo-4H-chromene-3-carbaldehyde |
title_short | 7-Chloro-4-oxo-4H-chromene-3-carbaldehyde |
title_sort | 7-chloro-4-oxo-4h-chromene-3-carbaldehyde |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158550/ https://www.ncbi.nlm.nih.gov/pubmed/25249886 http://dx.doi.org/10.1107/S1600536814014925 |
work_keys_str_mv | AT ishikawayoshinobu 7chloro4oxo4hchromene3carbaldehyde |