Information card for entry 2224135

Structure parameters

• Chemical name: 4-Hydroxy-<i>N</i>-(2,4,6-tribromophenyl)-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide
• Formula: C15 H9 Br3 N2 O4 S
• Calculated formula: C15 H9 Br3 N2 O4 S
• SMILES: Brc1c(c(Br)cc(Br)c1)NC(=O)C1=C(c2c(cccc2)S(=O)(=O)N1)O
• Title of publication: 4-Hydroxy-<i>N</i>-(2,4,6-tribromophenyl)-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide
• Authors of publication: Arshad, Muhammad Nadeem; Zia-ur-Rehman, Muhammad; Khan, Islam Ullah; Shafiq, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o2998
• a: 7.5082 ± 0.0004 Å
• b: 8.7486 ± 0.0006 Å
• c: 13.0669 ± 0.0009 Å
• α: 83.618 ± 0.002°
• β: 86.28 ± 0.002°
• γ: 87.684 ± 0.002°
• Cell volume: 850.72 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes