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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Redetermination and absolute configuration of pruniflorone M monohydrate
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Redetermination and absolute configuration of pruniflorone M monohydrate

机译：普尼弗洛酮M一水合物的重新测定和绝对构型

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The title xanthone known as pruniflorone M (systematic name: (2R)-5,10-dihy-droxy-2-hy-droxy-methyl-1,1-dimethyl-1H-furo[2,3-c]xanthen-6-one), crystallized in a monohydrate form, C18H16O6·H2O. It was isolated from the green fruits of Cratoxylum formosum ssp. pruniflorum. The structure of the title compound has been reported previously [Boonnak et al. (2010). Aust. J. Chem. 63, 1550–1556], but we report here the absolute configuration determined using Cu Kα radiation. There are two crystallograpically independent mol-ecules in the asymmetric unit, which differ slightly in the bond angles. The hy-droxy-methyl substituents at position 2 of the furan rings of both pruniflorone M mol-ecules adopt R configurations. In both mol-ecules, the three rings of the xanthone skeleton are approximately coplanar, with an r.m.s. deviation of 0.0124?(2)?? for one mol-ecule and 0.0289?(2)?? for the other, and the furan ring adopts an envelope conformation. In the crystal, mol-ecules of pruniflorone M and water are linked into a two-dimensional network by O—H?O hydrogen bonds and weak C—H?O inter-actions. The crystal structure is further consolidated by π–π inter-actions with centroid–centroid distances in the range 3.5987?(13)–3.7498?(14)??. Short C?C [3.378?(3)??] and O?O [2.918?(3)??] contacts are also observed.
机译：名为黄花酮M的标题（吨酮（系统名称：（2R）-5,10-dihy-droxy-2-hy-droxy-methyl-1,1-dimethyldimethyl-1H-furo [2,3-c] xanthen-6 -一），以一水合物形式C18H16O6·H2O结晶。它是从Cratoxylum formosum ssp的绿色果实中分离出来的。桔梗。先前已经报道了标题化合物的结构[Boonnak等。 （2010）。澳洲J.化学63，1550–1556]，但我们在此报告了使用CuKα辐射确定的绝对构型。在不对称单元中有两个晶体学上独立的分子，它们的键角略有不同。两个花蕾素M mol-ecule的呋喃环的2位上的羟基甲基取代基均采用R构型。在这两种分子中，the吨酮骨架的三个环近似共面，r.m.s。偏差0.0124？（2）?? 1 mol-ecule和0.0289？（2）??另一个，呋喃环采用包络构象。在晶体中，通过氢氧原子氢键和弱碳氢氧分子相互作用，将普鲁弗洛龙M和水的分子团连接成二维网络。晶体结构通过质心-质心距离在3.5987？（13）-3.7498？（14）？之间的π-π相互作用进一步巩固。还观察到短的C 2 C [3.378-（3）-]和O 2 O [2.918-（3）-]接触。

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