Crystal structure of the reversed carboxy-analogue of acetylcholine [methyl 3-(dimethylamino)propionate methiodide]

Abstract

The crystal structure of the title compound has been determined by X-ray diffraction. Crystals are orthorhombic with a= 10.948(5), b= 13.803(6), c= 7.101(2)Å, Z= 4, space group Pnam. The structure was solved by Patterson and Fourier methods and refined by full-matrix least-squares to R 0.047 for 952 three-dimensional diffractometer data. The iodide and methyl 3-(trimethylammonio)propionate ions are situated on the mirror plane at z=¼, and the crystal structure therefore consists of layers parallel to (001).