Lynch V M, Pacofsky G J, Martin S F, Davis B E
Department of Chemistry, University of Texas, Austin 78712.
Acta Crystallogr C. 1989 Jun 15;45 ( Pt 6):973-5. doi: 10.1107/s0108270188013666.
C19H34O4, Mr = 326.48, orthorhombic, P2(1)2(1)2(1), a = 7.949 (2), b = 14.880 (5), c = 17.047 (5) A, V = 2016 (1) A3, Z = 4, Dx = 1.08 g cm-3, mu = 0.6861 cm-1, lambda(Mo K alpha) = 0.71069 A, F(000) = 720, T = 163 K, R = 0.0644 for 1476 reflections [Fo greater than or equal to 4 sigma (Fo)]. There is an intermolecular H bond involving the hydroxyl group and the carbonyl O (related by 1/2 + x, 3/2 - y, 1 - z) with an O...O distance of 2.838 (5) A, an H...O distance of 2.06 (5) A and an O-H...O angle of 172 (6) degrees. There are no such intramolecular contacts.
C₁₉H₃₄O₄,Mr = 326.48,正交晶系,P2(1)2(1)2(1),a = 7.949(2),b = 14.880(5),c = 17.047(5) Å,V = 2016(1) ų,Z = 4,Dx = 1.08 g cm⁻³,μ = 0.6861 cm⁻¹,λ(Mo Kα) = 0.71069 Å,F(000) = 720,T = 163 K,对于1476个反射[Fo≥4σ(Fo)],R = 0.0644。存在一个涉及羟基和羰基O的分子间氢键(由1/2 + x,3/2 - y,1 - z相关),O...O距离为2.838(5) Å,H...O距离为2.06(5) Å,O - H...O角度为172(6)度。不存在这样的分子内接触。