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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 6, Number 1
BKCSDE 6(1)
January 20, 1985 

 
Title
The Crystal and Molecular Structure of Phlorizin Dihydrate
Author
Whanchul Shin
Keywords
Abstract
The crystal structure of phlorizin, a β -D-glucopyranoside of a flavonoid dihydrochalcone phloretin, has been determined by single crystal diffraction methods using diffractometer data obtained by the ω-2θ scan technique with Cu Kα radiation from a crystal with space group symmetry P212121 and unit cell parameters a = 4.9094 (2), b = 19.109 (1), c = 23.275 (4) Å. The structure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.047 for the 1697 observed reflections. The dihydrochalcone moiety is flat and fully extended. The glucose ring has the 4C1 chair conformation and the conformation of the primary alcohol group is gauche-gauche. The crystal packing is dominated by an extensive hydrogen bonding pattern. There are one strong and two weak intramolecular hydrogen bonds in the phlorizin molecule.
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7 - 11
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