The structure of stiripentol: 4,4 dimethyl- 1-(3,4-methylenedioxyphenyl)-1-penten-3-ol-a novel antiepileptic drug.
C14H18O3, Mr = 234.29, monoclinic, P2(1)/a, a = 14.550 (8), b = 6.133 (4), c = 15.703 (7) A, beta = 116.1 (4) degree, V = 1254.4 (5) A3, Z = 4, Dm = 1.24 (4), Dx = 1.239 g cm-3, lambda (Cu K alpha) = 1.54184 A, mu = 6.15 cm-1, F(000) = 504, room temperature, R = 0.065 for 2426 observed reflections. The five-membered ring A has an envelope conformation, the apical atom C(7)* being out of the plane. The conformation of the side chain attached to C(1)* is almost fully extended. The molecules are packed in a head-to-tail fashion as hydrogen-bonded dimers: O(3)...O(4)* [1-x, y, 1-z] = 3.124 (8), HO(3)...O(4)* = 2.19 (9) A, O(3)-HO(8)...O(4)* V 160.2 (6) degree.
Lisgarten
J N
JN
Department of Crystallography, Birkbeck College, University of London, England.
Palmer
R A
RA
D000927:Anticonvulsants; D004148:Dioxolanes; D004149:Dioxoles; D008958:Models, Molecular; D015394:Molecular Structure; D014961:X-Ray Diffraction
D000927:Anticonvulsants; D004148:Dioxolanes; D004149:Dioxoles; C021092:stiripentol