Collect. Czech. Chem. Commun.
1989, 54, 1661-1665
https://doi.org/10.1135/cccc19891661
The molecular and crystal structure of 4,4-dimethyl-6,6-diphenyl-tetrahydro-2H-pyran-2-one
Jiří Novotnýa, Jan Ondráčeka, Marián Schwarzb and Bohumil Kratochvíla
a Department of Mineralogy, Prague Institute of Chemical Technology, 166 28 Prague 6
b Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6
Abstract
The molecular and crystal structure of 4,4-dimethyl-6,6-diphenyl-tetrahydro-2H-pyran-2-one was solved by direct methods and anisotropically refined by the least squares method. The final R-factor value was 0.065 for 2 181 observed reflections (I > 1.96σ (I)) and 272 refined parameters. The symmetry of the structure corresponds to the P21/c space group with lattice parameters a = 11.207(2), b = 8.168(1), c = 16.896(3) Å, β = 90.05(1)°. The unit cell contains four formula units. A lactone structure was found for this geminally substituted heterocyclic compound and was also demonstrated by 1H and 13C NMR spectroscopy. The lactone ring assumes the boat conformation.
