Crystal structure of bis-p-nitrophenylcarbodi-imide, O2N·C6H4·N:C:N·C6H4·NO2

Abstract

Crystals of the title compound (I) are orthorhombic with a= 24·738, b= 3·827, c= 13·277 Å, Z= 4, space group Pna2₁. The structure was solved by direct methods. 1205 Visually estimated X-ray intensities were refined by full-matrix least-squares to R 7·73%. The molecule differs markedly from an idealised allene type. Important differences (idealised values in parentheses) are: C–NC 129·6 and 134·4°(120°), NCN 169·7°(180°), and C–N ⋯ N–C torsion angle 113·5°(90°).