organic compounds
The title compound, C15H9BrN2O3S, was isolated as an unexpected product from the reaction of sodium 2-(1,3-benzothiazolyl)ethanonitrile with α,2-dibromo-5-nitrotoluene. Its structure features a benzothiazole fragment and the bromo- and nitro-substituted phenyl ring linked by a methyl ketone group. The dihedral angle between the benzothiazole and the phenyl ring is 103.7 (2)°. The benzothiazole fragment is planar, with a maximum deviation of 0.021 (2) Å. 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)°.
Supporting information
Crystallographic Information File (CIF) | |
Structure factor file (CIF format) |
CCDC reference: 128748