Information card for entry 2221299

Structure parameters

• Chemical name: <i>N</i>-(3,4-Dimethylphenyl)-4-hydroxy-2-methyl-2<i>H</i>-1,2-benzothiazine-3- carboxamide 1,1-dioxide
• Formula: C18 H18 N2 O4 S
• Calculated formula: C18 H18 N2 O4 S
• SMILES: S1(=O)(=O)N(C(=C(O)c2c1cccc2)C(=O)Nc1cc(c(cc1)C)C)C
• Title of publication: <i>N</i>-(3,4-Dimethylphenyl)-4-hydroxy-2-methyl-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide
• Authors of publication: Siddiqui, Waseeq Ahmad; Ali, Muhammad; Zia-ur-Rehman, Muhammad; Sharif, Saima; Tizzard, Graham John
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o900 - o901
• a: 7.5458 ± 0.0004 Å
• b: 8.0214 ± 0.0003 Å
• c: 14.4832 ± 0.0007 Å
• α: 89.864 ± 0.003°
• β: 79.53 ± 0.002°
• γ: 73.812 ± 0.003°
• Cell volume: 826.78 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes