Information card for entry 2225606

Structure parameters

• Chemical name: 3-Benzoyl-4-hydroxy-2<i>H</i>-1,2-benzothiazine 1,1-dioxide
• Formula: C15 H11 N O4 S
• Calculated formula: C15 H11 N O4 S
• SMILES: O=C(C1=C(O)c2c(S(=O)(=O)N1)cccc2)c1ccccc1
• Title of publication: 3-Benzoyl-4-hydroxy-2<i>H</i>-1,2-benzothiazine 1,1-dioxide
• Authors of publication: Ahmad, Matloob; Siddiqui, Hamid Latif; Rizvi, Umar Farooq; Ahmad, Saeed; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o862
• a: 13.8675 ± 0.0004 Å
• b: 7.6289 ± 0.0002 Å
• c: 25.7553 ± 0.0009 Å
• α: 90°
• β: 102.452 ± 0.0012°
• γ: 90°
• Cell volume: 2660.66 ± 0.14 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: 0.0586
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes