Information card for entry 2235041

Structure parameters

• Chemical name: 4-Hydroxy-2-methyl-1,1-dioxo-<i>N</i>-phenyl-2<i>H</i>- 1λ^6^,2-benzothiazine-3-carboxamide
• Formula: C16 H14 N2 O4 S
• Calculated formula: C16 H14 N2 O4 S
• SMILES: S1(=O)(=O)N(C(=C(O)c2c1cccc2)C(=O)Nc1ccccc1)C
• Title of publication: 4-Hydroxy-2-methyl-1,1-dioxo-<i>N</i>-phenyl-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: o1790
• a: 10.502 ± 0.002 Å
• b: 7.649 ± 0.003 Å
• c: 19.235 ± 0.004 Å
• α: 90°
• β: 103.395 ± 0.015°
• γ: 90°
• Cell volume: 1503.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1186
• 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