X-RAY, NMR, and Theoretical Studies of the Nootropic Agent BMY-21502, a Pyrrolidinone Derivative

The preferred crystalline, solution, and in vacuo arrangements of 1-[[1- [2-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl]methyl]-2-pyrrolidinone (BMY-21502) were investigated by means of single-crystal X-ray diffraction, 1H and 13C NMR spectroscopy, and semiempirical molecular orbital and molecular mechanics calculations. The X-ray powder diffraction pattern is also reported