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2-[(3S,3aS,5R,8S,8aS)-3,8-Dimethylhexahydro-1H,4H-3a,8a-epoxyazulen-5-yl]propan-2-ol
Four independent molecules (A–D) comprise the asymmetric unit of the title compound, C(15)H(26)O(2), which differ only in the relative orientations of the terminal –C(Me)(2)OH groups [e.g. the range of C(methylene)—C(methine)—C(quaternary)—O(hydroxy) torsion angles is 52.7 (7)–57.1 (6)°, where th...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120619/ https://www.ncbi.nlm.nih.gov/pubmed/25161564 http://dx.doi.org/10.1107/S1600536814013543 |
Sumario: | Four independent molecules (A–D) comprise the asymmetric unit of the title compound, C(15)H(26)O(2), which differ only in the relative orientations of the terminal –C(Me)(2)OH groups [e.g. the range of C(methylene)—C(methine)—C(quaternary)—O(hydroxy) torsion angles is 52.7 (7)–57.1 (6)°, where the C(methylene) atom is bound to an epoxide C atom]. The five-membered rings adopt envelope conformations, with the methylene C atom adjacent to the methine C atom being the flap atom in each case. In each molecule, the conformation of the seven-membered ring is a half-chair, with the C(methylene)—C(methine) bond, flanked by methylene C atoms, being the back of the chair. Supramolecular helical chains along the b axis are found in the crystal packing, sustained by hydroxy–epoxide O—H⋯O hydrogen bonding. Molecules of A self-associate into a chain as do those of D. A third independent chain comprising B and C molecules is also formed. The studied crystal is a pseudo-merohedral twin (minor component ca 21%). |
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