Crystal structure of di-p-tolylcarbodi-imide, MeC6H4·N:C:N·C6H4Me

Abstract

Crystals of the title compound are orthorhombic with a= 11·310, b= 14·799, c= 7·690 Å, Z= 4, space group P2₁2₁2₁. 1511 Visually estimated X-ray reflexions were refined by least squares to R 6·25%; the structure was solved by direct methods. The stereochemistry of the molecule is of the allene type with the two C-NC planes approximately normal to each other, with C–NC angles of 127·2(3)°, and with an NCN angle of 170·4(4)°.