Information card for entry 2227075

Structure parameters

• Chemical name: 2-Benzoyl-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one
• Formula: C15 H11 N O2 S
• Calculated formula: C15 H11 N O2 S
• SMILES: S1C(C(=O)c2ccccc2)C(=O)Nc2c1cccc2
• Title of publication: 2-Benzoyl-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one
• Authors of publication: Shahwar, Durre; Tahir, M. Nawaz; Ahmad, Naeem; Raza, Muhammad Asam; Khan, Muhammad Akmal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2145
• a: 9.1323 ± 0.0003 Å
• b: 15.2893 ± 0.0004 Å
• c: 10.5214 ± 0.0004 Å
• α: 90°
• β: 114.669 ± 0.001°
• γ: 90°
• Cell volume: 1334.99 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes