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Genistein-3'-sulfonic acid dihydrate. | LitMetric

Genistein-3'-sulfonic acid dihydrate.

Acta Crystallogr Sect E Struct Rep Online

Key Laboratory of Jiangxi University for Functional Materials Chemistry, Department of Chemistry and Life Science, Gannan Normal University, Ganzhou, Jiangxi 341000, People's Republic of China.

Published: April 2009

IN THE TITLE COMPOUND [SYSTEMATIC NAME: 5-(5,7-dihydr-oxy-4-oxo-4H-chromen-yl)-2-hydroxy-benzene-sulfonic acid dihydrate], C(15)H(10)O(8)S·2H(2)O, the benzopyran-one ring is not coplanar with the phenyl ring, the dihedral angle between them being 41.35 (3)°. No H atom was placed on the sulphonic acid group because it was not possible to distinguish between the two S=O bonds and the S-O bond. In the crystal, the mol-ecules are linked by classical O-H⋯O and C-H⋯O intra- and inter-molecular hydrogen bonds and aromatic π-π stacking inter-actions [centroid-centroid distance of 3.4523 (14) Å between the 1, 4-pyran-one rings and the benzene rings, and 3.6337 (14) Å between the benzene rings] into a supra-molecular structure.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977809PMC
http://dx.doi.org/10.1107/S1600536809014767DOI Listing

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