Fun Hoong-Kun, Sudto Kanokorn, Ge Hui-Ming, Tan Ren-Xiang, Hannongbua Supa, Chantrapromma Suchada
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1392-3. doi: 10.1107/S1600536811017053. Epub 2011 May 14.
In the structure of the title compound, C(28)H(16)O(6)·H(2)O [systematic name 3,11-bis(4-hydroxyphenyl)-4,12-dioxapentacyclo[8.6.1.1(2,5).0(13,17).0(9,18)]octadeca-1(16),2,5(18),6,8,10,13(17),14-octaene-7,15-diol monohydrate], the hopeahainol C mol-ecule lies about an inversion center with the solvent water mol-ecule located on a crystallographic twofold axis. Hopeahainol C is an oligostillbenoid compound and was isolated from the bark of Shorea roxburghii G. Don. The five central fused rings are essentially planar with an r.m.s. deviation of 0.0173 (3) Å. The 4-hy-droxy-phenyl ring is twisted with respect to this plane, with the dihedral angle between the phenyl ring and the fused-ring system being 41.70 (10)°. The crystal features inter-molecular O-H⋯O hydrogen bonds. These inter-actions link the hopeahainol C mol-ecules into chains along the b axis. Water mol-ecules are located inter-stitially between the hopeahainol C mol-ecules linked by O(water)-H⋯O(hy-droxy) and O(hy-droxy)-H⋯O(water) hydrogen bonds. π-π inter-actions are also observed with centroid-centroid distances of 3.6056 (17) and 3.5622 (17) Å. Short O⋯O contacts [2.703 (2)-2.720 (3) Å] are also present in the crystal.
在标题化合物C(28)H(16)O(6)·H(2)O [系统命名为3,11-双(4-羟基苯基)-4,12-二氧杂五环[8.6.1.1(2,5).0(13,17).0(9,18)]十八碳-1(16),2,5(18),6,8,10,13(17),14-八烯-7,15-二醇一水合物]的结构中，霍帕海诺醇C分子位于一个对称中心上，溶剂水分子位于一个晶体学二重轴上。霍帕海诺醇C是一种低聚芪类化合物，从红柳桉（Shorea roxburghii G. Don）的树皮中分离得到。五个中心稠合环基本呈平面状（均方根偏差为0.0173 (3) Å）。4-羟基苯基环相对于该平面发生扭曲，苯环与稠合环系统之间的二面角为41.70 (10)°。该晶体具有分子间O-H⋯O氢键。这些相互作用将霍帕海诺醇C分子沿b轴连接成链。水分子位于通过O(水)-H⋯O(羟基)和O(羟基)-H⋯O(水)氢键连接的霍帕海诺醇C分子之间的间隙中。还观察到π-π相互作用，质心间距为3.6056 (17)和3.5622 (17) Å。晶体中还存在短的O⋯O接触[2.703 (2)-2.720 (3) Å]。
