3-trans-Bromo-5-cis-fluoro-2,6,6-trimethyl-2-phenyltetrahydropyran
✍ Scribed by Hartung, Jens ;Greb, Marco ;Svoboda, Ingrid ;Fuess, Hartmut
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 70 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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The title compound, C 9 H 12 N 2 O 3 , was synthesized by the reaction in ethanol of ethane-1,2-diamine and 3-[bis(methylthio)methylene]-6-methyl-3,4,5,6-tetrahydro-2H-pyran-2,4dione. Two intramolecular N-HÁ Á ÁO hydrogen bonds induce a high degree of planarity.
A view of (I) with the atomic numbering scheme. Displacement ellipsoids are drawn at the 30% probability level.
The crystal and molecular structure of the title compound, C 19 H 20 Cl 2 O 2 , reveals a chair conformation for the pyran ring in which the hydroxyl group is axially oriented. All the other substituents occupy equatorial positions. There are two molecules in the asymmetric unit.