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. 2010 Oct 2;66(Pt 11):o2716-7.
doi: 10.1107/S1600536810039012.

5,7-Dihy-droxy-3,6-dimeth-oxy-2-(4-meth-oxy-phen-yl)-4H-chromen-4-one monohydrate

Akhtar Mohammad, Itrat Anis, Vickie McKee, Josef W A Frese, Muhammad Raza Shah

5,7-Dihy-droxy-3,6-dimeth-oxy-2-(4-meth-oxy-phen-yl)-4H-chromen-4-one monohydrate

Akhtar Mohammad et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The title compound, C(18)H(16)O(7)·H(2)O, is a flavonoid isolated from Dodonaea viscosa-. The benzopyran ring system of the flavonoid is essentially planar [maximum deviation = 0.025 (2) Å] and inclined at 5.83 (2)° to the attached benzene ring. The water of hydration is involved in extensive hydrogen bonding, assembling the mol-ecules into a supra-molecular network via classical inter-molecular O-H⋯O hydrogen bonding. The crystal structure is further stabilized by π-π stacking inter-actions [centroid-centroid distance between benzene rings = 3.564 (3) Å].

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Figures

Fig. 1.
Fig. 1.
Molecular structure of title compound with atom numbering scheme. Displacement ellipsoids are drawn at 50% probability level. H atoms are presented as a small spheres of arbitrary radius. Several H bonds are drawn by dashed lines.
Fig. 2.
Fig. 2.
Packing diagram showing the H–bond network (dashed lines).
Fig. 3.
Fig. 3.
The π–π interactions. Red cirles mark centroids of bonds or rings.
See this image and copyright information in PMC

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