Crystal and molecular structure of adiphenine hydrochloride, a muscarinic antagonist of acetylcholine

Abstract

The crystal and molecular structure of the title compound has been determined by 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= 15·79, b= 7·28, c= 17·34 Å(all ±0·01 Å), and β= 108·3°± 0·05°. The structure was established by Fourier and least-squares methods and the final R is 6·3% for 2580 structure amplitudes. The molecular geometry is compared with those of certain related anticholinergic and cholinergic molecules. A possible model for the blocking action of adiphenine and related anticholinergic agents is suggested.