Stereochemistry of anticholinergic agents. Part VIII. Crystal and molecular structure of O-benzoyltropine hydrochloride

Abstract

The structure of O-benzoyltropine hydrochloride, a relatively weak anticholinergic agent, has been determined by a single-crystal X-ray analysis from three-dimensional counter data. Crystals are monoclinic, space group P2₁/c, with Z= 4 in a cell of dimensions a= 6.87(1), b= 12.02(1), c= 17.33(1)Å, β= 94.0(1)°. The structure was established by Patterson and Fourier methods and refined by least-squares calculations to R 6.1 % for 1 521 observed structure amplitudes. Mean estimated standard deviations for bond lengths, bond angles, and torsion angles are 0.007 Å, and 0.4 and 0.6°. The cation does not have the overall shape and dimensions characteristic of potent anticholinergic agents.