Information card for entry 2218220

Structure parameters

• Chemical name: 1-(4-Hydroxy-2-methyl-1,1-dioxo-2<i>H</i>-1,2-benzothiazin-3-yl)ethanone
• Formula: C11 H11 N O4 S
• Calculated formula: C11 H11 N O4 S
• SMILES: c12ccccc1C(=C(C(=O)C)N(C)S2(=O)=O)O
• Title of publication: 1-(4-Hydroxy-2-methyl-1,1-dioxo-2<i>H</i>-1,2-benzothiazin-3-yl)ethanone
• Authors of publication: Ahmad, Matloob; Siddiqui, Hamid Latif; Zia-ur-Rehman, Muhammad; Ashiq, Muhammad Irfan; Tizzard, Graham John
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o788
• a: 6.8523 ± 0.0001 Å
• b: 8.3222 ± 0.0002 Å
• c: 10.488 ± 0.0002 Å
• α: 72.1321 ± 0.0011°
• β: 77.9619 ± 0.0012°
• γ: 80.036 ± 0.0012°
• Cell volume: 552.892 ± 0.019 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: 0.0402
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes