Information card for entry 2225841

Structure parameters

• Chemical name: (4-Hydroxy-1,1-dioxo-2<i>H</i>-1,2-benzothiazin-3-yl)(3-methoxyphenyl)methanone
• Formula: C16 H13 N O5 S
• Calculated formula: C16 H13 N O5 S
• SMILES: S1(=O)(=O)NC(=C(O)c2c1cccc2)C(=O)c1cc(OC)ccc1
• Title of publication: (4-Hydroxy-1,1-dioxo-2<i>H</i>-1,2-benzothiazin-3-yl)(3-methoxyphenyl)methanone
• Authors of publication: Gul, Salman; Siddiqui, Hamid Latif; Ahmad, Matloob; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1021
• a: 8.1866 ± 0.0003 Å
• b: 7.2431 ± 0.0003 Å
• c: 25.2452 ± 0.0009 Å
• α: 90°
• β: 95.5869 ± 0.0018°
• γ: 90°
• Cell volume: 1489.84 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes