Information card for entry 2235254

Structure parameters

• Chemical name: <i>N</i>-Benzyl-4-hydroxy-2-methyl-1,1-dioxo-2<i>H</i>-1λ^6^,2- benzothiazine-3-carboxamide
• Formula: C17 H16 N2 O4 S
• Calculated formula: C17 H16 N2 O4 S
• SMILES: S1(=O)(=O)N(C(=C(O)c2c1cccc2)C(=O)NCc1ccccc1)C
• Title of publication: <i>N</i>-Benzyl-4-hydroxy-2-methyl-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazine-3-carboxamide
• Authors of publication: Aman, Farhana; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Siddiqui, Hamid Latif; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1921
• a: 8.785 ± 0.003 Å
• b: 9.122 ± 0.003 Å
• c: 11.425 ± 0.004 Å
• α: 66.61 ± 0.02°
• β: 87.66 ± 0.02°
• γ: 69.38 ± 0.02°
• Cell volume: 781.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes