Crystal structure of 3-(hy­droxy­meth­yl)chromone

In the title compound, C(10)H(8)O(3) (systematic name 3-hy­droxy­methyl-4H-chromen-4-one), the fused-ring system is slightly puckered [dihedral angle between the rings = 3.84 (11)°]. The hy­droxy O atom deviates from the heterocyclic ring by 1.422 (1) Å. In the crystal, inversion dimers linked by pa...

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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/PMC4518918/
https://www.ncbi.nlm.nih.gov/pubmed/26279927
http://dx.doi.org/10.1107/S2056989015011627
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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(8)O(3) (systematic name 3-hy­droxy­methyl-4H-chromen-4-one), the fused-ring system is slightly puckered [dihedral angle between the rings = 3.84 (11)°]. The hy­droxy O atom deviates from the heterocyclic ring by 1.422 (1) Å. In the crystal, inversion dimers linked by pairs of O—H⋯O hydrogen bonds generate R (2) (2)(12) loops. The dimers are linked by aromatic π–π stacking [shortest centroid–centroid distance = 3.580 (3) Å], and C—H⋯O hydrogen bonds, generating a three-dimensional network.
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spelling pubmed-45189182015-08-14 Crystal structure of 3-(hy­droxy­meth­yl)chromone Ishikawa, Yoshinobu Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(10)H(8)O(3) (systematic name 3-hy­droxy­methyl-4H-chromen-4-one), the fused-ring system is slightly puckered [dihedral angle between the rings = 3.84 (11)°]. The hy­droxy O atom deviates from the heterocyclic ring by 1.422 (1) Å. In the crystal, inversion dimers linked by pairs of O—H⋯O hydrogen bonds generate R (2) (2)(12) loops. The dimers are linked by aromatic π–π stacking [shortest centroid–centroid distance = 3.580 (3) Å], and C—H⋯O hydrogen bonds, generating a three-dimensional network. International Union of Crystallography 2015-06-20 /pmc/articles/PMC4518918/ /pubmed/26279927 http://dx.doi.org/10.1107/S2056989015011627 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-(hy­droxy­meth­yl)chromone
title Crystal structure of 3-(hy­droxy­meth­yl)chromone
title_full Crystal structure of 3-(hy­droxy­meth­yl)chromone
title_fullStr Crystal structure of 3-(hy­droxy­meth­yl)chromone
title_full_unstemmed Crystal structure of 3-(hy­droxy­meth­yl)chromone
title_short Crystal structure of 3-(hy­droxy­meth­yl)chromone
title_sort crystal structure of 3-(hy­droxy­meth­yl)chromone
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518918/
https://www.ncbi.nlm.nih.gov/pubmed/26279927
http://dx.doi.org/10.1107/S2056989015011627
work_keys_str_mv AT ishikawayoshinobu crystalstructureof3hydroxymethylchromone

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