Abstract
The crystal structure of an orthorhombic polymorph of the title compound, crystallized by sublimation, has been determined. Dehydroepiandrosterone, C19H28O2, space groupP212121 witha=6.6408(4)b=11.4423(11)c=22.085(2)Å,V=1678.2(4)Å3,Z=4. The structure was refined toR=0.051 for 2645 observed reflections. The conformation of the molecule is similar to that found in other polymorphs and solvates, with a chair A ring, an 8β, 9α half-chair B ring, a chair C ring, and a 14α envelope D ring. Molecules are linked in chains by OH...O hydrogen bonds involving the carbonyl oxygen atom. The O...O distance is 2.855(3) Å, and the angle about H is 171(2)o.
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Bhacca, N.S., Fronczek, F.R. & Sygula, A. Investigations of dehydroepiandrosterone. Part I: crystal structure of sublimed DHEA. J Chem Crystallogr 26, 483–487 (1996). https://doi.org/10.1007/BF01668309
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DOI: https://doi.org/10.1007/BF01668309