Crystal and molecular structure of the p-bromobenzoate chlorohydrin of clerodendrin A

Abstract

Crystals of the title compound are orthorhombic, a= 18·95, b= 22·74, c= 10·06 Å, Z= 4, space group P2₁2₁2₁. The structures was determined from photographic data by Patterson and Fourier methods, and refined by leastsquares techniques to R 0·0988 for 2924 observed reflexions. The absolute configuration was determined by the anomalous dispersion method, and the compound shown to be an antipode of clerodin, except for C(2), C(3), and C(8). Rings A and B are trans-fused, adopting chair and sofa conformations, respectively.