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7a-Phenyl-tetra-hydro-pyrrolo-[2,1- b ]oxazol-5(6 H )-one.

Elena I LinkovaVyacheslav S GrinevOksana A MayorovaAlevtina Yu Yegorova
Published in: IUCrData (2020)
In the title compound, C 12 H 13 NO 2 , the pyrrolidinone moiety is almost flat while the oxazole ring adopts an envelope conformation with the carbon atom bearing the phenyl substituent as the flap: the angle between the mean planes of the fused heterocyclic rings is 45.47 (19)°. In the crystal, C-H⋯O and C-H⋯π contacts link the mol-ecules into infinite [010] chains.
Keyphrases
  • high resolution
  • molecular dynamics
  • molecular dynamics simulations
  • soft tissue