| ABSTRACT: |
|
The crystal and molecular structure of ellagic acid dihydrate has been
determined by X-ray diffraction techniques. This acid inhibits the
carcinogenic properties of a variety of chemical compounds including
benzo[alpha]pyrene-7,8-diol-9,10-epoxide, aflatoxin B1,
N-methyl-N-nitrosourea, 3-methyl-cholanthrene and
7,12-dimethylbenz[alpha]anthracene. Ellagic acid dihydrate forms triclinic
crystals with unit cell dimensions: a = 7.656(1) A, b = 9.563(1)A, c =
4.623(1) A, alpha = 97.88(1) degrees, beta = 103.2(1) degrees, gamma =
102.22(1) degrees, V = 315.9 A3, space group = P1. There is a center of
symmetry in the crystal coinciding with the center of the molecule, so
that there is only one molecule in the unit cell. Ellagic acid is planar
and molecules are interconnected by hydrogen bonds to water, giving rise
to layers of molecules throughout the crystal. Its activity and
anti-cancer properties are compared with those of a similar naturally
occurring compound, quercetin. |