The influence of substituents on the geometry of the cyclopropane ring. I. The crystal and molecular structure of cyanocyclopropane at −85°C. Film and diffractometer measurements†

Crystals of cyanocyclopropane have been grown from liquid. At −85°C, cell parameters are a = 7.244(5), b = 7.821(2), c = 6.916(3) A in the orthorhombic space group Pnma with Z = 4. Intensity data were collected in three different ways, viz. photographically using rotation and Weissenberg techniques and electronically by means of a diffractometer. Within the limits of accuracy, the three data sets result in equal bond lengths and angles. The most important result from the structure determination is the difference of 0.033 A between the lengths of the distal and vicinal ring bonds, which had not previously been measured directly from X-ray experiments.