Crystal structure of 2,3,5,6-tetrabromoterephthalonitrile

Abstract

The title crystal (systematic name: 2,3,5,6-tetrabromobenzene-1,4-dicarbonitrile), C8Br4N2, is the first bromo analog in a study of cyano-halo (C[triple-bond]N...X) non-bonded contacts in crystals of halogenated dicyanobenzenes. The complete molecule is generated by a crystallographic center of symmetry. In the extended structure, each Br atom accepts one C[triple-bond]N...Br interaction, and each N atom is bisected by two. This contact network forms a nearly planar sheet structure propagating in the (\overline{1}01) plane, similar to that reported in hexamethylbenzene co-crystals of the tetrachloro analog.

Keywords

• crystal structure
• nitrile
• N...Br contacts