司替戊醇的结构：4,4-二甲基-1-(3,4-亚甲二氧基苯基)-1-戊烯-3-醇——一种新型抗癫痫药物。
The structure of stiripentol: 4,4 dimethyl- 1-(3,4-methylenedioxyphenyl)-1-penten-3-ol-a novel antiepileptic drug.
作者信息
Lisgarten J N, Palmer R A
机构信息
Department of Crystallography, Birkbeck College, University of London, England.
出版信息
Acta Crystallogr C. 1988 Nov 15;44 ( Pt 11):1992-4. doi: 10.1107/s0108270188007772.
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.
C₁₄H₁₈O₃，Mr = 234.29，单斜晶系，P2(1)/a，a = 14.550(8)，b = 6.133(4)，c = 15.703(7) Å，β = 116.1(4)°，V = 1254.4(5) ų，Z = 4，Dm = 1.24(4)，Dx = 1.239 g cm⁻³，λ(Cu Kα) = 1.54184 Å，μ = 6.15 cm⁻¹，F(000) = 504，室温，对于2426个观测反射，R = 0.065。五元环A具有信封式构象，顶端原子C(7)不在平面内。连接到C(1)的侧链构象几乎完全伸展。分子以头对头的方式堆积成氢键二聚体：O(3)...O(4) [1 - x, y, 1 - z] = 3.124(8)，HO(3)...O(4) = 2.19(9) Å，O(3) - HO(8)...O(4)* V 160.2(6)° 。
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