2,5:3,4-二脱水-D-阿卓糖醇的结构
Structure of 2,5:3,4-dianhydro-D-altritol.
作者信息
Garcia J G, Voll R J, Fronczek F R, Younathan E S
机构信息
Department of Biochemistry, Louisiana State University, Baton Rouge 70803-1806.
出版信息
Acta Crystallogr C. 1992 Sep 15;48 ( Pt 9):1692-4. doi: 10.1107/s0108270192001057.
3,6-Dioxabicyclo[3.1.0]hexane-2,4-dimethanol, C6H10O4, M(r) = 146.1, orthorhombic, P2(1)2(1)2(1), a = 7.6209 (2), b = 9.1292 (3), c = 9.6135 (5) A, V = 668.8 (1) A3, Z = 4, Dx = 1.451 g cm-3, lambda(Mo K alpha) = 0.71073 A, mu = 1.15 cm-1, F(000) = 312, T = 298 K, R = 0.029 for 1280 observations with I greater than 3 sigma(I) (of 1695 unique data). The tetrahydrofuran ring has the envelope conformation, OE, with P of 94.3 degrees and tau m = 24.0 degrees. C atoms deviate from their best plane by +/- 0.0006 (1) to 0.010 (1) A, and the O atom lies 0.331 (1) A from that plane. The epoxide O atom is syn to the tetrahydrofuran O atom. Each hydroxy group is involved in intermolecular hydrogen bonding both as donor and acceptor. The two hydrogen bonds have O...O distances of 2.743 (1) and 2.729 (1) A, and angles about H of 166.3 (12) and 172 (2) degrees, respectively.
3,6 - 二氧杂双环[3.1.0]己烷 - 2,4 - 二甲醇，C₆H₁₀O₄，M(r) = 146.1，正交晶系，P2(1)2(1)2(1)，a = 7.6209(2)，b = 9.1292(3)，c = 9.6135(5) Å，V = 668.8(1) ų，Z = 4，Dx = 1.451 g cm⁻³，λ(Mo Kα) = 0.71073 Å，μ = 1.15 cm⁻¹，F(000) = 312，T = 298 K，对于1695个独立数据中1280个I大于3σ(I)的观测值，R = 0.029。四氢呋喃环具有信封式构象，OE，P为94.3°，τm为24.0°。C原子偏离其最佳平面的距离为±0.0006(1)至0.010(1) Å，O原子距离该平面0.331(1) Å。环氧化合物O原子与四氢呋喃O原子顺式排列。每个羟基都作为供体和受体参与分子间氢键形成。两个氢键的O...O距离分别为2.743(1)和2.729(1) Å，H周围的角度分别为166.3(12)和172(2)°。
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