3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone
The title compound, C11H16O3, 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&#8...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2009-12-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536809049046 |
| _version_ | 1818286105225592832 |
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| author | Jose Camacho Liz Triana Simón Hernández-Ortega Roberto Martínez |
| author_facet | Jose Camacho Liz Triana Simón Hernández-Ortega Roberto Martínez |
| author_sort | Jose Camacho |
| collection | DOAJ |
| description | The title compound, C11H16O3, 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. |
| first_indexed | 2024-12-13T01:19:18Z |
| format | Article |
| id | doaj.art-4607101438ed44d08f140027c5291864 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-13T01:19:18Z |
| publishDate | 2009-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-4607101438ed44d08f140027c52918642022-12-22T00:04:16ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-12-016512o3186o318610.1107/S16005368090490463-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enoneJose CamachoLiz TrianaSimón Hernández-OrtegaRoberto MartínezThe title compound, C11H16O3, 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.http://scripts.iucr.org/cgi-bin/paper?S1600536809049046 |
| spellingShingle | Jose Camacho Liz Triana Simón Hernández-Ortega Roberto Martínez 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone Acta Crystallographica Section E |
| 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 |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536809049046 |
| work_keys_str_mv | AT josecamacho 3hydroxy55dimethyl22oxopropylcyclohex2enone AT liztriana 3hydroxy55dimethyl22oxopropylcyclohex2enone AT simamp243nhernamp225ndezortega 3hydroxy55dimethyl22oxopropylcyclohex2enone AT robertomartamp237nez 3hydroxy55dimethyl22oxopropylcyclohex2enone |