1-(1,3-Benzothiazol-2-yl)-2-(2-bromo-5-nitrophenyl)ethanone
| Autor: | Wigberto J. Hernandez, T. Ruiwu, D. Cardona, Osvaldo Cox, C. L. Barnes, S. D. Huang |
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| Rok vydání: | 1997 |
| Předmět: |
Models
Molecular Acetonitriles Bicyclic molecule Molecular Structure Chemistry Stereochemistry Sodium chemistry.chemical_element General Medicine Crystal structure Dihedral angle Ring (chemistry) Crystallography X-Ray General Biochemistry Genetics and Molecular Biology chemistry.chemical_compound Thiazoles Benzothiazole Nitro Molecule Benzothiazoles Crystallization |
| Zdroj: | Acta crystallographica. Section C, Crystal structure communications. 53 |
| ISSN: | 0108-2701 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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