The X-ray crystal structure of the title compound, C 12 H 16 N 2 O 2 , has been determined and its structure correlated with its anticonvulsant activity in mice and rats. In each of the two molecules of the asymmetric unit, the two rings are linked by an intramolecular C-HÁ Á ÁN hydrogen bond.
5-Methyl-3-(5-methylisoxazol-3-yl)cyclohex-2-enone
✍ Scribed by Scott, K. R. ;Butcher, Ray J. ;Hanson, Clive D.
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 192 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The X-ray crystal structure of the title compound, C 11 H 14 N 2 O 2 , has been determined and its structure correlated with its anticonvulsant activity in mice and rats. An intramolecular C-HÁ Á ÁN hydrogen bond links the two rings.
📜 SIMILAR VOLUMES
In the title molecule, C 11 H 11 NO 2 , the isoxazole ring shows normal values of bond lengths and angles. The molecular skeleton, excluding the hydroxyl oxygen, is essentially planar. Intermolecular O-HÁ Á ÁN hydrogen bonds link the molecules into chains extending along the a axis.
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The cyclopentene ring of the title compound, C 15 H 14 Cl 2 S 2 , is almost planar. The two thiophene rings are twisted out of the mean plane of the cyclopentene ring by 39.97 (5) and 50.84 (5) .