Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 6 (June 2013)

organic compounds

Acta Cryst. (2013). E69, o879-o880    [ doi:10.1107/S1600536813012646 ]

3[beta],6[beta]-Diacet­oxy-5,9[alpha]-dihy­droxy-5[alpha]-cholest-7-en-11-one acetic acid 0.04-solvate

V. Piccialli, G. Oliviero, N. Borbone, R. Centore and A. Tuzi

Abstract: The title compound, C31H48O7·0.04CH3COOH, is a polyoxy­genated steroid obtained by selective chemical oxidation of 7-de­hydro­cholesteryl acetate. The asymmetric unit comprises three mol­ecules of the steroid (Z' = 3) and a mol­ecule of acetic acid which has occupancy factor 0.131 (5). The geometric parameters of the independent mol­ecules do not reveal significant differences. In one mol­ecule, the terminal isopropyl group is disordered over two sets of sites with occupancy ratio 0.869 (5):0.131 (5). The three mol­ecules reveal different hydrogen-bonding patterns. Each of them is involved in an intra­molecular S(6) hydrogen-bonding motif, involving hy­droxy groups as donor and acceptor. In the crystal, two independent mol­ecules form dimers through hydrogen bonding between an OH donor and an acetate carbonyl acceptor, giving rise to R22(16) ring patterns. A single hydrogen bond between the OH group and a ketone carbonyl group is observed between two symmetry-independent mol­ecules.

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