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The title compound [systematic name: 3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one monohydrate], C16H12O6·H2O, is a monohydrate of a natural product santal isolated from Wyethia mollis. In the santal molecule, the dihedral angle between the benzoquinone and dihydroxyphenyl fragments is 53.9 (1)° and an intramolecular O—H
O hydrogen bond occurs. In the crystal, O—HO hydrogen bonds link the components into corrugated layers parallel to the ac plane. The short distance of 3.474 (5) Å between the centroids of the benzene rings in neighbouring santal molecules reveals then existence of π–π interactions within the layers.
O hydrogen bond occurs. In the crystal, O—HO hydrogen bonds link the components into corrugated layers parallel to the ac plane. The short distance of 3.474 (5) Å between the centroids of the benzene rings in neighbouring santal molecules reveals then existence of π–π interactions within the layers.organic compoundsOpen access
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The asymmetric unit of the title compound, C16H14O, contains two independent molecules differing in the orientations of the allyl groups; the corresponding O—C—C(H2)—C(H) torsion angles are −61.01 (13) and −177.43 (10)°. In the crystal, O—HO hydrogen bonds link four molecules into a centrosymmetric tetramer, in which each hydroxy group acts as a donor and an acceptor of hydrogen bonds.
O hydrogen bonds link four molecules into a centrosymmetric tetramer, in which each hydroxy group acts as a donor and an acceptor of hydrogen bonds.
