Santal monohydrate, an isoflavone isolated from Wyethia mollis

The title compound [systematic name: 3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4 H -chromen-4-one monohydrate], C 16 H 12 O 6 ·H 2 O, is a monohydrate of a natural product santal isolated from Wyethia mollis . In the santal molecule, the dihedral angle between the benzoquinone and dihydroxyphenyl...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2014-03, Vol.70 (3), p.o267-o267
Main Authors: Knight, Kyle S., Smith, Cole T., Waddell, Thomas G., Noll, Bruce
Format: Article
Language:English
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Summary:The title compound [systematic name: 3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4 H -chromen-4-one monohydrate], C 16 H 12 O 6 ·H 2 O, 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—H...O 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.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536814002670