STRUCTURES OF SOBREROL ENANTIOMERS AND RACEMATES .1. (-)-TRANS-5-HYDROXY-ALPHA,ALPHA, 4-TRIMETHYL-3-CYCLOHEXENE-1-METHANOL [(-)-TRANS-SOBREROL]

被引:7
作者
GIUSEPPETTI, G [1 ]
TADINI, C [1 ]
BETTINETTI, GP [1 ]
机构
[1] UNIV FLORENCE,DIPARTIMENTO SCI FARMACEUT,I-50121 FLORENCE,ITALY
关键词
D O I
10.1107/S0108270191009290
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
C10H18O2, M(r) = 170.25, monoclinic, C2, a = 18.975 (5), b = 7.939 (2), c = 6.680 (2) angstrom, beta = 96.24 (3)-degrees, V = 1000.5 (6) angstrom 3, Z = 4, D(m) = 1.128, D(x) = 1.130 g cm-3, lambda(Mo K-alpha) = 0.7107 angstrom, mu = 0.715 cm-1, F(000) = 376, T = 296 K, R - 0.0282 for 915 unique reflections with I > 3-sigma(I). The cyclohexene ring takes on a half-chair conformation with an equatorial 2-hydroxyisopropyl group at C(1) and a pseudo-axial hydroxyl at C(5). The individual molecules in the crystal are linked head-to-tail via O(12)--H(30)...O(10) bonds [2.758 (4) angstrom] forming polymer-like chains coupled through lateral hydrogen bonds O(10)...H(26)...O(12) [2.843 (4) angstrom] which are complemented by the C(1)-H(13)...O(10) [3.676 (4) angstro] and C(1)-H(13)...O(12) [3.480 (4) angstrom] contacts.
引用
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页码:148 / 150
页数:3
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