Abstract
Crystals of the title compound (systematic name: 3β-hydroxyolean-12-en-28-oic acid ethanol monosolvate), C30H48O3·C2H5OH, were obtained from unsuccessful co-crystallization trials. The asymmetric unit contains two symmetry-independent oleanolic acid molecules, as well as two ethanol solvent molecules. Intermolecular O—H⋯O hydrogen bonds stabilize the crystal packing. In the oleanolic acid molecules, ring C has a slightly distorted envelope conformation, while rings A, B, D and E adopt chair conformations and rings D and E are cis-fused. Both independent ethanol molecules are orientationally disordered [occupancy ratios of 0.742 (8):0.258 (8) and 0.632 (12):0.368 (12).
Highlights
Atlas diffractometerH atoms treated by a mixture of independent and constrained refinement max = 0.22 e Å3
Crystals of the title compound, C30H48O3C2H5OH, were obtained from unsuccessful co-crystallization trials
H atoms treated by a mixture of independent and constrained refinement max = 0.22 e Å3
Summary
H atoms treated by a mixture of independent and constrained refinement max = 0.22 e Å3. Key indicators: single-crystal X-ray study; T = 130 K; mean (C–C) = 0.002 Å; disorder in solvent or counterion; R factor = 0.037; wR factor = 0.114; data-toparameter ratio = 15.1. The asymmetric unit contains two symmetry-independent oleanolic acid molecules, as well as two ethanol solvent molecules. In the oleanolic acid molecules, ring C has a slightly distorted envelope conformation, while rings A, B, D and E adopt chair conformations and rings D and E are cis-fused. Both independent ethanol molecules are orientationally disordered [occupancy ratios of 0.742 (8):0.258 (8)
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