The crystal and molecular structure of the perhydromethiodide of an unsymmetrical N-alkoxycarbonylazepine dimer

Abstract

The structure of the thermal (6 + 4)π co-cycloaddition product of N-alkoxycarbonylazepine has been shown to be an unsymmetrical dimer by means of a single-crystal X-ray structure analysis on the perhydromethiodide. The salt crystallises in the monoclinic space group P2₁/n with Z= 4 in the unit cell of dimensions a= 7·42(4), b= 16·38(4), c= 13·26(3)Å, and β= 90° 20′(20′). The structure has been refined to R 0·13 for 856 independent reflexions collected photographically.