Application of Wallach's Rule in a Comparison of the X-ray Crystal Structures of the Racemate and the (S) Enantiomer of (1-Hydroxy-3-phenyl-2-propenyl) Dimethylphosphonate
1997 ◽
Vol 53
(5)
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pp. 838-842
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Keyword(s):
X Ray
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The crystal structures of the racemate and the (S) enantiomer of (1-hydroxy-3-phenyl-2-propenyl) dimethylphosphonate, C11H15O4P, were determined by X-ray diffraction. The crystal density of the racemate was found to be 6.2% greater than the crystal density of the (S) enantiomer. In both crystal structures the molecules form chains by hydrogen bonding between the OH of one molecule and the P=O of another. Observed differences in atomic displacement between the two structures are discussed in view of the C—H...O interactions.