Boonnak Nawong, Chantrapromma Suchada, Fun Hoong-Kun
Faculty of Traditional Thai Medicine, Prince of Songkla University, Hat-Yai, Songkhla 90112, Thailand.
Department of Chemistry, Faculty of Science, Prince of Songkla University, Hat-Yai, Songkhla 90112, Thailand.
Acta Crystallogr Sect E Struct Rep Online. 2013 Aug 21;69(Pt 9):o1456-7. doi: 10.1107/S1600536813021223. eCollection 2013.
3,6,11-trihy-droxy-1,1-dimethyl-2,3-di-hydro-chromeno[2,3-f]chromen-7-one monohydrate), known as pruniflorone N, crystallized as a monohydrate, C18H16O6·H2O. The three ring systems of the xanthone skeleton are approximately coplanar, with an r.m.s. deviation of 0.0270 (1) Å from the plane through the 14 non-H atoms. The O atoms of the two hy-droxy substituents on the benzene rings also lie close to this plane, with deviations of 0.019 (1) and 0.070 (1) Å. The 2'-hy-droxy-4',4'-di-methyl-pyran ring is disordered over two positions with a 0.798 (3):0.202 (3) site-occupancy ratio. An intra-molecular O-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, the xanthone and water mol-ecules are linked into a three-dimensional network by O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions. π-π inter-actions, with centroid-centroid distances of 3.5982 (7), 3.6081 (7) and 3.6456 (7) Å, are also observed.
3,6,11-三羟基-1,1-二甲基-2,3-二氢色烯并[2,3-f]色烯-7-酮一水合物，即李属黄酮N，以一水合物C18H16O6·H2O形式结晶。呫吨酮骨架的三个环系统大致共面，与通过14个非氢原子的平面的均方根偏差为0.0270 (1) Å。苯环上两个羟基取代基的O原子也靠近该平面，偏差分别为0.019 (1)和0.070 (1) Å。2'-羟基-4',4'-二甲基吡喃环在两个位置上无序排列，占位比为0.798 (3):0.202 (3)。分子内O-H⋯O氢键形成一个S(6)环 motif。在晶体中，呫吨酮和水分子通过O-H⋯O氢键和弱C-H⋯O相互作用连接成三维网络。还观察到π-π相互作用，质心间距为3.5982 (7)、3.6081 (7)和3.6456 (7) Å。
