Crystal structure of 3-acetyl-4H-chromen-4-one

In the title compound, C(11)H(8)O(3), the fused-ring system is almost planar (r.m.s. deviation = 0.020 Å), with the largest deviation from the least-squares plane [0.0462 (17) Å] being for a pyran C atom. The dihedral angle between the plane of the fused-ring system and acetyl plane is 5.149 (16)°....

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Autor principal: Ishikawa, Yoshinobu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518922/
https://www.ncbi.nlm.nih.gov/pubmed/26278465
http://dx.doi.org/10.1107/S2056989015012098
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author Ishikawa, Yoshinobu
author_facet Ishikawa, Yoshinobu
author_sort Ishikawa, Yoshinobu
collection PubMed
description In the title compound, C(11)H(8)O(3), the fused-ring system is almost planar (r.m.s. deviation = 0.020 Å), with the largest deviation from the least-squares plane [0.0462 (17) Å] being for a pyran C atom. The dihedral angle between the plane of the fused-ring system and acetyl plane is 5.149 (16)°. In the crystal, the fused rings are linked by aromatic π–π stacking inter­actions [centroid–centroid distance between the benzene and pyran rings = 3.643 (6) Å] and C—H⋯O hydrogen bonds, generating a three-dimensional network.
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spelling pubmed-45189222015-08-14 Crystal structure of 3-acetyl-4H-chromen-4-one Ishikawa, Yoshinobu Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(11)H(8)O(3), the fused-ring system is almost planar (r.m.s. deviation = 0.020 Å), with the largest deviation from the least-squares plane [0.0462 (17) Å] being for a pyran C atom. The dihedral angle between the plane of the fused-ring system and acetyl plane is 5.149 (16)°. In the crystal, the fused rings are linked by aromatic π–π stacking inter­actions [centroid–centroid distance between the benzene and pyran rings = 3.643 (6) Å] and C—H⋯O hydrogen bonds, generating a three-dimensional network. International Union of Crystallography 2015-06-30 /pmc/articles/PMC4518922/ /pubmed/26278465 http://dx.doi.org/10.1107/S2056989015012098 Text en © Yoshinobu Ishikawa 2015 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 Data Reports
Ishikawa, Yoshinobu
Crystal structure of 3-acetyl-4H-chromen-4-one
title Crystal structure of 3-acetyl-4H-chromen-4-one
title_full Crystal structure of 3-acetyl-4H-chromen-4-one
title_fullStr Crystal structure of 3-acetyl-4H-chromen-4-one
title_full_unstemmed Crystal structure of 3-acetyl-4H-chromen-4-one
title_short Crystal structure of 3-acetyl-4H-chromen-4-one
title_sort crystal structure of 3-acetyl-4h-chromen-4-one
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518922/
https://www.ncbi.nlm.nih.gov/pubmed/26278465
http://dx.doi.org/10.1107/S2056989015012098
work_keys_str_mv AT ishikawayoshinobu crystalstructureof3acetyl4hchromen4one

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