title: 1-(1,3-Benzothiazol-2-yl)-2-(2-bromo-5-nitrophenyl)ethanone.
abstract: 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.
authors.affiliation: Department of Physics, University of Puerto Rico, San Juan 00931, USA.
authors.forename: T
authors.initials: T
authors.lastname: Ruiwu
authors.forename: C L
authors.initials: CL
authors.lastname: Barnes
authors.forename: O
authors.initials: O
authors.lastname: Cox
authors.forename: W J
authors.initials: WJ
authors.lastname: Hernàndez
authors.forename: D
authors.initials: D
authors.lastname: Cardona
authors.forename: S D
authors.initials: SD
authors.lastname: Huang
mesh_terms: D000097:Acetonitriles; D052160:Benzothiazoles; D003460:Crystallization; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D015394:Molecular Structure; D013844:Thiazoles / Q000737:chemistry*
chemical_list: C106965:1-(1,3-benzothiazol-2-yl)-2-(2-bromo-5-nitrophenyl)ethanone; D000097:Acetonitriles; D052160:Benzothiazoles; D013844:Thiazoles; C032159:acetonitrile