Information card for entry 2010181

Structure parameters

• Formula: C11 H11 N O2 S
• Calculated formula: C11 H11 N O2 S
• Title of publication: 2-Acetyl-3-methyl-4<i>H</i>-1,4-benzothiazine 1-oxide
• Authors of publication: Chen, W.; Teo, S.-B.; Teoh, S.-G.; Okechuwu, R.C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1756 - 1758
• a: 7.763 ± 0.001 Å
• b: 7.751 ± 0.001 Å
• c: 17.071 ± 0.004 Å
• α: 90°
• β: 96.26 ± 0.02°
• γ: 90°
• Cell volume: 1021.1 ± 0.3 ų
• Cell temperature: 300 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 0.75
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No