title: X-ray, NMR, and theoretical studies of the nootropic agent BMY-21502, a pyrrolidinone derivative.
abstract: The preferred crystalline, solution, and in vacuo arrangements of 1-[[1-[2-trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl]methyl]-2-pyrroli dinone (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.
authors.affiliation: Department of Pharmaceutical Sciences, University of Padua, Italy.
authors.forename: G
authors.initials: G
authors.lastname: Bandoli
authors.forename: A
authors.initials: A
authors.lastname: Dolmella
authors.forename: M
authors.initials: M
authors.lastname: Nicolini
authors.forename: F
authors.initials: F
authors.lastname: Tisato
mesh_terms: D009682:Magnetic Resonance Spectroscopy; D008968:Molecular Conformation; D011619:Psychotropic Drugs / Q000737:chemistry*; D011743:Pyrimidines / Q000737:chemistry*; D011760:Pyrrolidinones / Q000737:chemistry*; D014961:X-Ray Diffraction
chemical_list: D011619:Psychotropic Drugs; D011743:Pyrimidines; D011760:Pyrrolidinones; C064122:BMY 21502