IUCrData (Jan 2018)

3,5-Dibromobenzonitrile

  • Wayland E. Noland,
  • Kenneth J. Tritch

DOI
https://doi.org/10.1107/S2414314618000597
Journal volume & issue
Vol. 3, no. 1
p. x180059

Abstract

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Molecules of the title compound (I), C7H3Br2N, lie on a crystallographic mirror plane that bisects the benzene ring and the cyano group. In the crystal, no C[triple-bond]N...Br or Br...Br short contacts are observed. Head-to-tail C(7) chains form based on weak hydrogen bonding between the the para H atom and the cyano N atom. Although molecules of (I) pack differently than 3,5-difluorobenzonitrile, both compounds have similarly distorted benzene rings. For (I), the endocyclic bond angles are 121.16 (16)° and 117.78 (16)° about the ipso and para C atoms, respectively.

Keywords