Information card for entry 2223157

Structure parameters

• Chemical name: <i>N</i>-(2-Chlorophenyl)-4-hydroxy-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide
• Formula: C15 H11 Cl N2 O4 S
• Calculated formula: C15 H11 Cl N2 O4 S
• SMILES: Clc1ccccc1NC(=O)C1=C(O)c2c(S(=O)(=O)N1)cccc2
• Title of publication: <i>N</i>-(2-Chlorophenyl)-4-hydroxy-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide
• Authors of publication: Siddiqui, Waseeq Ahmad; Siddiqui, Hamid Latif; Azam, Muhammad; Parvez, Masood; Rizvi, Umar Farooq
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2279 - o2280
• a: 10.077 ± 0.002 Å
• b: 13.818 ± 0.003 Å
• c: 21.426 ± 0.004 Å
• α: 90°
• β: 97.07 ± 0.013°
• γ: 90°
• Cell volume: 2960.8 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0507
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes