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...

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Veröffentlicht in:	Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 1997-06, Vol.53 (6), p.801-803
Hauptverfasser:	Ruiwu, T., Barnes, C. L., Cox, O., Hernàndez, W. J., Cardona, D., Huang, S. D.
Format:	Artikel
Sprache:	eng
Schlagworte:	Acetonitriles Benzothiazoles Condensed matter: structure, mechanical and thermal properties Crystallization Crystallography, X-Ray Exact sciences and technology Heterocyclic compounds Models, Molecular Molecular Structure Organic compounds Physics Structure of solids and liquids crystallography Structure of specific crystalline solids Thiazoles - chemistry
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Beschreibung
Zusammenfassung:	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.
ISSN:	0108-2701 1600-5759
DOI:	10.1107/S0108270197000656