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Hopeahainol C monohydrate

Authors
Journal
Acta Crystallographica Section E Structure Reports Online
1600-5368
Publisher
International Union of Crystallography
Publication Date
Volume
67
Issue
6
Identifiers
DOI: 10.1107/s1600536811017053
Keywords
  • Organic Papers

Abstract

In the structure of the title compound, C28H16O6·H2O [systematic name 3,11-bis(4-hydroxyphenyl)-4,12-dioxapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(16),2,5(18),6,8,10,13(17),14-octaene-7,15-diol monohydrate], the hopeahainol C mol­ecule lies about an inversion center with the solvent water mol­ecule 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-hy­droxy­phenyl 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 inter­molecular O—H⋯O hydrogen bonds. These inter­actions link the hopeahainol C mol­ecules into chains along the b axis. Water mol­ecules are located inter­stitially between the hopeahainol C mol­ecules linked by O(water)—H⋯O(hy­droxy) and O(hy­droxy)—H⋯O(water) hydrogen bonds. π–π inter­actions 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.

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