CRYSTAL STRUCTURE OF BETULIN ETHANOL SOLVATE
T. N. Drebushchak, M. A. Mikhailenko, M. E. Brezgunova, T. P. Shakhtshneider, S. A. Kuznetsova
Keywords: betulin, solvates, hydrogen bond, single crystal X-ray diffraction analysis
Pages: 823-826
Abstract
The crystal structure of the 1:1 ethanol betulin solvate, a widely spread natural compound, is determined. The betulin solvate crystallizes in orthorhombic symmetry in the P212121 space group, Z = 4. The unit cell parameters are as follows: a = 7.0159(1) Å, b = 12.4425(2) Å, c = 33.7500(5) Å; V = 2946.22(8) Å3. Betulin molecules are hydrogen bonded to each other and ethanol molecules, as a result of which the layers are distinguished in the structure, which are perpendicular to the с crystallographic direction. Inside the layer, all molecules are hydrogen bonded, while the layers are linked by van der Waals interactions.
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