Benn Michael, Yelland Lois Jean, Parvez Masood
Department of Chemistry, The University of Calgary, 2500 University Drive NW, Calgary, Alberta, Canada T2N 1N4.
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 4;66(Pt 10):o2503. doi: 10.1107/S1600536810034847.
In the title mol-ecule {systematic name: (5S)-5-[(β-d-gluco-pyranos-yloxy)meth-yl]furan-2(5H)-one}, C(11)H(16)O(8), the five-membered ring is essentially planar, the maximum deviation being 0.0151 (13) Å for the O atom. The six-membered ring adopts a chair conformation with puckering parameters Q = 0.581 (2) Å, θ = 9.0 (2)° and ϕ = 39.7 (13)°, and with all of the substituents of the glucoside unit having normal equatorial orientations. The crystal structure is stabilized by extensive O-H⋯O and C-H⋯O hydrogen bonding, resulting in a three-dimensional network.
在标题分子{系统名称:(5S)-5-[(β-D-吡喃葡萄糖氧基)甲基]呋喃-2(5H)-酮},C(11)H(16)O(8)中,五元环基本呈平面状,O原子的最大偏差为0.0151 (13) Å。六元环呈椅式构象,褶皱参数Q = 0.581 (2) Å,θ = 9.0 (2)°,ϕ = 39.7 (13)°,且糖苷单元的所有取代基均具有正常的平伏取向。晶体结构通过广泛的O-H⋯O和C-H⋯O氢键得以稳定,形成三维网络。