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Santal monohydrate, an isoflavone isolated from Wye-thia mollis. | LitMetric

Santal monohydrate, an isoflavone isolated from Wye-thia mollis.

Acta Crystallogr Sect E Struct Rep Online

Crystallographic Systems, Bruker AXS Inc., 4565 East Cheryl Parkway, Madison, WI 53711, USA.

Published: March 2014

THE TITLE COMPOUND [SYSTEMATIC NAME: 3-(3,4-di-hydroxy-phen-yl)-5-hy-droxy-7-meth-oxy-4H-chromen-4-one monohydrate], C16H12O6·H2O, is a monohydrate of a natural product santal isolated from Wye-thia mollis. In the santal mol-ecule, the dihedral angle between the benzo-quinone and di-hydroxy-phenyl fragments is 53.9 (1)° and an intra-molecular 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 mol-ecules reveals then existence of π-π inter-actions within the layers.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998461PMC
http://dx.doi.org/10.1107/S1600536814002670DOI Listing

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