No abstract

The enaminones represent potentially useful agents for the clinical treatment in generalized tonic-clonic seizures (Epilepsia, 1993, 34(6), 1141-1145, Biopharm. Drug Disp. 2003, 397-407). A regression analysis was performed to provide a quantitative structure-activity relationship (QSAR) correlation model for prediction of activity for the anticonvulsant enaminones. Molecular modeling was performed to determine the molecular confluence of the Unverferth model (J. Med. Chem. 1998, 41, 63-73) to the enaminones. Conclusions related to the sodium channel model were assessed.

No abstract

Key indicatorsSingle-crystal X-ray study T = 294 K Mean (C-C) = 0.005 Å R factor = 0.059 wR factor = 0.148 Data-to-parameter ratio = 11.3For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e. # 2006 International Union of Crystallography Printed in Great Britain -all rights reservedThe 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.

Key indicatorsSingle-crystal X-ray study T = 293 K Mean (C-C) = 0.003 Å Disorder in main residue R factor = 0.052 wR factor = 0.143 Data-to-parameter ratio = 13.4For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e. # 2006 International Union of Crystallography Printed in Great Britain -all rights reservedThe 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.