Stereochemistry of anticholinergic agents. Part VII. Crystal and molecular structure of 3-(2-methylpiperidino)-1-phenylpropyl phenyl ether methiodide

Abstract

Crystals of the title compounds are orthorhombic, space group P2₁2₁2₁ with a= 11.41 ± 0.01, b= 10.24 ± 0.01, c= 17.92 ± 0.02 Å, and Z= 4. The structure was determined by Patterson and Fourier methods from three-dimensional X-ray counter data and refined by least-squares calculations to R 3.4% for 1779 observed amplitudes. Estimated standard deviations for bond length, bond angles, and torsion angeles average 0.015 Å, 0.9°, and 1.3°. The 3-(2-methylpiperidino)-1-phenylpropyl grouping adopts the characteristics claw-like arrangement observed in other potent anticholinergic agents.