3-Hydr­oxy-5,5-dimethyl-2-(2-oxo­propyl)cyclo­hex-2-enone

The title compound, C(11)H(16)O(3), was obtained by reaction of dimedone, 5,5-dimethylcyclohexane-1,3-dione, and α-chloro­acetone. The cyclo­hexenone ring exhibits an envelope conformation with puckering amplitudes Q = 0.433 (2) and Φ = −109.0 (3)°. The 2-oxopropyl fragment is almost perpendicular t...

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Detalles Bibliográficos
Autores principales: Martínez, Roberto, Hernández-Ortega, Simón, Triana, Liz, Camacho, Jose
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971976/
https://www.ncbi.nlm.nih.gov/pubmed/21578898
http://dx.doi.org/10.1107/S1600536809049046
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author Martínez, Roberto
Hernández-Ortega, Simón
Triana, Liz
Camacho, Jose
author_facet Martínez, Roberto
Hernández-Ortega, Simón
Triana, Liz
Camacho, Jose
author_sort Martínez, Roberto
collection PubMed
description The title compound, C(11)H(16)O(3), was obtained by reaction of dimedone, 5,5-dimethylcyclohexane-1,3-dione, and α-chloro­acetone. The cyclo­hexenone ring exhibits an envelope conformation with puckering amplitudes Q = 0.433 (2) and Φ = −109.0 (3)°. The 2-oxopropyl fragment is almost perpendicular to the cyclo­hexa­none ring [dihedral angle = 77.72 (8)°]. In the crystal, the mol­ecules are linked to each other through O—H⋯O hydrogen bonding, building a chain parallel to the b axis.
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spelling pubmed-29719762010-12-30 3-Hydr­oxy-5,5-dimethyl-2-(2-oxo­propyl)cyclo­hex-2-enone Martínez, Roberto Hernández-Ortega, Simón Triana, Liz Camacho, Jose Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(11)H(16)O(3), was obtained by reaction of dimedone, 5,5-dimethylcyclohexane-1,3-dione, and α-chloro­acetone. The cyclo­hexenone ring exhibits an envelope conformation with puckering amplitudes Q = 0.433 (2) and Φ = −109.0 (3)°. The 2-oxopropyl fragment is almost perpendicular to the cyclo­hexa­none ring [dihedral angle = 77.72 (8)°]. In the crystal, the mol­ecules are linked to each other through O—H⋯O hydrogen bonding, building a chain parallel to the b axis. International Union of Crystallography 2009-11-25 /pmc/articles/PMC2971976/ /pubmed/21578898 http://dx.doi.org/10.1107/S1600536809049046 Text en © Martínez et al. 2009 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
Martínez, Roberto
Hernández-Ortega, Simón
Triana, Liz
Camacho, Jose
3-Hydr­oxy-5,5-dimethyl-2-(2-oxo­propyl)cyclo­hex-2-enone
title 3-Hydr­oxy-5,5-dimethyl-2-(2-oxo­propyl)cyclo­hex-2-enone
title_full 3-Hydr­oxy-5,5-dimethyl-2-(2-oxo­propyl)cyclo­hex-2-enone
title_fullStr 3-Hydr­oxy-5,5-dimethyl-2-(2-oxo­propyl)cyclo­hex-2-enone
title_full_unstemmed 3-Hydr­oxy-5,5-dimethyl-2-(2-oxo­propyl)cyclo­hex-2-enone
title_short 3-Hydr­oxy-5,5-dimethyl-2-(2-oxo­propyl)cyclo­hex-2-enone
title_sort 3-hydr­oxy-5,5-dimethyl-2-(2-oxo­propyl)cyclo­hex-2-enone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971976/
https://www.ncbi.nlm.nih.gov/pubmed/21578898
http://dx.doi.org/10.1107/S1600536809049046
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AT hernandezortegasimon 3hydroxy55dimethyl22oxopropylcyclohex2enone
AT trianaliz 3hydroxy55dimethyl22oxopropylcyclohex2enone
AT camachojose 3hydroxy55dimethyl22oxopropylcyclohex2enone

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