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Type: Journal article
Title: 2-[(3S,3aS,5R,8S,8aS)-3,8-Dimethylhexahydro-1H,4H-3a,8a-epoxyazulen-5-yl] -propan-2-ol
Author: Burrett, S.
Taylor, D.
Tiekink, E.
Citation: Acta Crystallographica Section E: Structure Reports Online, 2014; 70(7):776-777
Publisher: International Union of Crystallography
Issue Date: 2014
ISSN: 1600-5368
Statement of
Stacey Burrett, Dennis K. Taylor and Edward R. T. Tiekink
Abstract: Four independent mol-ecules (A-D) comprise the asymmetric unit of the title compound, C15H26O2, which differ only in the relative orientations of the terminal -C(Me)2OH groups [e.g. the range of Cmethyl-ene-Cmethine-Cquaternary-Ohy-droxy torsion angles is 52.7 (7)-57.1 (6)°, where the Cmethyl-ene atom is bound to an epoxide C atom]. The five-membered rings adopt envelope conformations, with the methyl-ene C atom adjacent to the methine C atom being the flap atom in each case. In each mol-ecule, the conformation of the seven-membered ring is a half-chair, with the Cmethyl-ene-Cmethine bond, flanked by methyl-ene C atoms, being the back of the chair. Supra-molecular helical chains along the b axis are found in the crystal packing, sustained by hy-droxy-epoxide O-H⋯O hydrogen bonding. Mol-ecules of A self-associate into a chain as do those of D. A third independent chain comprising B and C mol-ecules is also formed. The studied crystal is a pseudo-merohedral twin (minor component ca 21%).
Description: Includes 18 pages of supporting information, pp. sup. 1-sup.18
Rights: Copyright © International Union of Crystallography
RMID: 0030010181
DOI: 10.1107/S1600536814013543
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