6-Hy­droxy-7,8-dimethyl­chroman-2-one

The title compound, C(11)H(12)O(3), is essentially planar, with an r.m.s. deviation of 0.179 Å from the mean plane through the 14 non-H atoms in the mol­ecule. The benzene ring and the pyranone mean plane are inclined at 13.12 (6)° to one another and the pyran­one ring adopts a flattened chair confo...

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Autores principales: Goswami, Shailesh K., Hanton, Lyall R., McAdam, C. John, Moratti, Stephen C., Simpson, Jim
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414271/
https://www.ncbi.nlm.nih.gov/pubmed/22904804
http://dx.doi.org/10.1107/S1600536812029704
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author Goswami, Shailesh K.
Hanton, Lyall R.
McAdam, C. John
Moratti, Stephen C.
Simpson, Jim
author_facet Goswami, Shailesh K.
Hanton, Lyall R.
McAdam, C. John
Moratti, Stephen C.
Simpson, Jim
author_sort Goswami, Shailesh K.
collection PubMed
description The title compound, C(11)H(12)O(3), is essentially planar, with an r.m.s. deviation of 0.179 Å from the mean plane through the 14 non-H atoms in the mol­ecule. The benzene ring and the pyranone mean plane are inclined at 13.12 (6)° to one another and the pyran­one ring adopts a flattened chair conformation. In the crystal, O—H⋯O hydrogen bonds and C—H⋯O contacts form R (1) (2)(6) rings and link mol­ecules into chains along b. Additional C—H⋯O contacts generate inversion dimers, with R (2) (2)(8) ring motifs, and form sheets parallel to (-102) which are linked by C—H⋯π interactions.
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spelling pubmed-34142712012-08-17 6-Hy­droxy-7,8-dimethyl­chroman-2-one Goswami, Shailesh K. Hanton, Lyall R. McAdam, C. John Moratti, Stephen C. Simpson, Jim Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(11)H(12)O(3), is essentially planar, with an r.m.s. deviation of 0.179 Å from the mean plane through the 14 non-H atoms in the mol­ecule. The benzene ring and the pyranone mean plane are inclined at 13.12 (6)° to one another and the pyran­one ring adopts a flattened chair conformation. In the crystal, O—H⋯O hydrogen bonds and C—H⋯O contacts form R (1) (2)(6) rings and link mol­ecules into chains along b. Additional C—H⋯O contacts generate inversion dimers, with R (2) (2)(8) ring motifs, and form sheets parallel to (-102) which are linked by C—H⋯π interactions. International Union of Crystallography 2012-07-04 /pmc/articles/PMC3414271/ /pubmed/22904804 http://dx.doi.org/10.1107/S1600536812029704 Text en © Goswami et al. 2012 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
Goswami, Shailesh K.
Hanton, Lyall R.
McAdam, C. John
Moratti, Stephen C.
Simpson, Jim
6-Hy­droxy-7,8-dimethyl­chroman-2-one
title 6-Hy­droxy-7,8-dimethyl­chroman-2-one
title_full 6-Hy­droxy-7,8-dimethyl­chroman-2-one
title_fullStr 6-Hy­droxy-7,8-dimethyl­chroman-2-one
title_full_unstemmed 6-Hy­droxy-7,8-dimethyl­chroman-2-one
title_short 6-Hy­droxy-7,8-dimethyl­chroman-2-one
title_sort 6-hy­droxy-7,8-dimethyl­chroman-2-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414271/
https://www.ncbi.nlm.nih.gov/pubmed/22904804
http://dx.doi.org/10.1107/S1600536812029704
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AT simpsonjim 6hydroxy78dimethylchroman2one

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