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