W. Bentrude, W. Setzer, A. A. Kergaye
Mar 1, 1991
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Journal
Phosphorus Sulfur and Silicon and The Related Elements
Abstract
Abstract The crystal and molecular structures have been determined for 2-(dimethylamino)-2-oxo-3-(4-fluoro-phenyl)-5,5-dimethyl-1,3,2-oxazaphosphorinane, 1, and 2-(dimethylamino)-2-oxo-3-(4-dimethylami-nophenyl)-5,5-dimethyl-1,3,2-oxazaphosphorinane, 2. Compound 1 crystallizes in the monoclinic space group P21/c with eight molecules per unit cell (2 crystallographically independent molecules) of dimensions a=17.251(1) A, b=10.822(3) A, c=18.075(6) A, and β=118.20(2)°. Compound 2 crystallizes in the monoclinic space group P21/a with Z=4, a=14.148(7) A, b=6.907(4) A, c=17.210(6) A, and β=94.33(3)°. Full-matrix least-squares refinement of these structures converged at R=0.0469 and R=0.0581 for 1 and 2, respectively. Both compounds adopt chair conformations in the solid state with equatorially disposed dimethylamino substituents on phosphorus.