Crystal structure of dichloromalonamide

Abstract

Crystals of dichloromalonamide, CCl₂(CONH₂)₂, are monoclinic, space group I2/a, a= 10·514, b= 5·985 c= 10·371 Å, β= 101·44°, Z= 4, molecular symmetry, C₂. The structure was determined with Mo-K_α diffractometer data by Patterson and Fourier syntheses and refined by full-matrix least-squares methods to R 0·031 for 604 observed reflexions. Hydrogen atom positions were determined.

The amide group is nearly planar. The mean bond distances, after application of vibration corrections are C–Cl 1·781, C–C 1·560, C–O 1·242, and C–N 1·334 Å. The molecules are held together by N–H ⋯ O hydrogen bonds (2·96 and 3·05 Å); there is also one exceptionally short intermolecular Cl ⋯ Cl contact (3·10 Å).