Information card for entry 2225613

Structure parameters

• Chemical name: 3-Benzoyl-4-hydroxy-2-methyl-2<i>H</i>-1,2-benzothiazine 1,1-dioxide
• Formula: C16 H13 N O4 S
• Calculated formula: C16 H13 N O4 S
• SMILES: S1(=O)(=O)N(C(=C(O)c2c1cccc2)C(=O)c1ccccc1)C
• Title of publication: 3-Benzoyl-4-hydroxy-2-methyl-2<i>H</i>-1,2-benzothiazine 1,1-dioxide
• Authors of publication: Ahmad, Matloob; Siddiqui, Hamid Latif; Ahmad, Saeed; Aslam, Sana; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o968
• a: 6.8342 ± 0.0003 Å
• b: 9.9085 ± 0.0003 Å
• c: 10.7234 ± 0.0004 Å
• α: 83.257 ± 0.002°
• β: 79.481 ± 0.002°
• γ: 85.113 ± 0.002°
• Cell volume: 707.5 ± 0.05 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: 0.046
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes