Crystal structure and absolute configuration of (R)-(–)-3-acetoxyquinuclidine methiodide

Abstract

The structure and absolute configuration of the title compound has been determined by single-crystal X-ray diffraction. Crystals are triclinic with Z= 1 in a unit cell of dimensions a= 7·610(4), b= 7·410(4), c= 6·909(3)Å, α= 69·75(3), β= 111·88(3), γ= 112·38(3)°, space group P1. The structure was solved by Patterson and Fourier methods and refined by least-squares by use of 1637 observed three-dimensional diffractometer data to R 0·045. The absolute configuration was determined by use of the anomalous scattering effect of the iodine atom. The quinuclidine cage is twisted by ca. 12° and the ester group is planar.