CRYSTAL STRUCTURE AND ABSOLUTE CONFIGURATION OF SCHELHAMMERINE HYDROBROMIDE

The structure of schelhammerine, an alkaloid isolated from Schelhammera pedunculaia F. MuelL, has been determined as its hydrobromide salt by x-ray diffraction analysis. The crystals are orthorhombic, space group P2i2i2i with four molecules in the unit cell. The cell dimensions are a = 21.22, b = 9.64, c = 8.92 Å taken at room temperature. The analysis was based on 818 reflections, 636 of which were observed. The site of the bromide ion was determined from the three-dimensional Patterson function. The sites of C, N and O atoms were determined from electron density and difference maps. The complete structure was then refined by the full-matrix least-squares method to a final R value of 0.147. © 1969, Walter de Gruyter. All rights reserved.