Crystal and molecular structure of geiparvarin

The structure of the antitumor agent geiparvarin was determined by direct methods from CuK diffractometer data. The crystals of synthetic geiparvarin have the space groupP2₁/c witha = 8.305(1),b = 11.077(1),c = 18.287(1) Å, = 98.79(1) °, andZ = 4. The structure was refined toR = 0.047. The chemically determined structure was confirmed. Bond distances and angles are normal and there are no unusual C-H O intermolecular contacts.IUPAC name: 7-[3-(4,5-dihydro-5,5-dimethy1-4-oxo-2-furanyl)-2-butenyi]-oxy-(2H-1-benzopyran-2-one).Camille and Henry Dreyfus Teacher-Scholar, 1978–1983; National Institutes of Health Career Development Award, 1980–1985.