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.
3-Methyl-5-(3-nitrophenyl)cyclohex-2-enone
✍ Scribed by Sun, Feng-Xia ;Yu, Yi-Feng ;Guo, Xing-Na ;Guo, Jun-Yong
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 98 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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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.
In the title compound, C 15 H 17 NO 2 , the six-membered cyclohexene ring has an envelope conformation. The structure is stabilized by O-HÁ Á ÁN hydrogen bonds and weak van der Waals interactions. There are no C-HÁ Á Á orinteractions between the two ring systems; however, there is an intermolecular
In the crystal structure of the title compound, C 9 H 9 NO 4 , intermolecular O-HÁ Á ÁO hydrogen bonds link the molecules into centrosymmetric dimers.