Information card for entry 2218606

Structure parameters

• Chemical name: <i>N</i>-Butyl-4-hydroxy-2-methyl-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide
• Formula: C14 H18 N2 O4 S
• Calculated formula: C14 H18 N2 O4 S
• SMILES: S1(=O)(=O)N(C(=C(O)c2c1cccc2)C(=O)NCCCC)C
• Title of publication: <i>N</i>-Butyl-4-hydroxy-2-methyl-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide
• Authors of publication: Ahmad, Matloob; Siddiqui, Hamid Latif; Ahmad, Saeed; Farooq, Syed Umar; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1213 - o1214
• a: 10.233 ± 0.002 Å
• b: 14.78 ± 0.004 Å
• c: 10.365 ± 0.005 Å
• α: 90°
• β: 108.79 ± 0.02°
• γ: 90°
• Cell volume: 1484.1 ± 0.9 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: 0.059
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes