Affiliations 

  • 1 School of Agriculture, Food and Wine, The University of Adelaide, Waite Campus, PMB 1, Glen Osmond, SA 5064, Australia
  • 2 Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Acta Crystallogr Sect E Struct Rep Online, 2014 Jul 1;70(Pt 7):o776-7.
PMID: 25161564 DOI: 10.1107/S1600536814013543

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%).

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.