Information card for entry 2233319

Structure parameters

• Chemical name: 2-(3-Benzoyl-4-hydroxy-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazin-2-yl)- 1-phenylethanone
• Formula: C23 H17 N O5 S
• Calculated formula: C23 H17 N O5 S
• SMILES: S1(=O)(=O)N(C(=C(O)c2c1cccc2)C(=O)c1ccccc1)CC(=O)c1ccccc1
• Title of publication: 2-(3-Benzoyl-4-hydroxy-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazin-2-yl)-1-phenylethanone
• Authors of publication: Sattar, Nazia; Siddiqui, Hamid Latif; Bukhari, Syed Iftikhar Hussain; Ahmad, Matloob; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o92
• a: 7.5458 ± 0.0002 Å
• b: 10.9169 ± 0.0004 Å
• c: 12.0924 ± 0.0004 Å
• α: 101.92 ± 0.002°
• β: 101.423 ± 0.002°
• γ: 90.484 ± 0.002°
• Cell volume: 954.08 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes