Acta Crystallogr C. 1997 Jun 15:53 ( Pt 6):801-3. doi: 10.1107/s0108270197000656.


The title compound, C15H9BrN2O3S, was isolated as an unexpected product from the reaction of the anion of sodium 2-(1,3-benzothiazolyl)ethanonitrile with alpha,2-dibromo-5-nitrotoluene. Its structure features a benzothiazole fragment and a bromo- and nitro-substituted phenyl ring linked by a methyl ketone group. The dihedral angle between the benzothiazole and phenyl rings is 103.7 (2) degrees. The benzothiazole fragment is planar, with a maximum deviation of 0.021 (2) A. The nitro group is slightly rotated out of the phenyl-ring plane, with a O(2)-N(2)-C(14)-C(15) torsion angle of 16.4(7) degrees.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Acetonitriles
  • Benzothiazoles
  • Crystallization
  • Crystallography, X-Ray
  • Models, Molecular
  • Molecular Structure
  • Thiazoles / chemistry*


  • 1-(1,3-benzothiazol-2-yl)-2-(2-bromo-5-nitrophenyl)ethanone
  • Acetonitriles
  • Benzothiazoles
  • Thiazoles
  • acetonitrile