Information card for entry 2234350

Structure parameters

• Chemical name: 3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)- 3,4-dihydro-2<i>H</i>-1λ^6^,2-benzothiazine-1,1,4-trione
• Formula: C24 H19 N O6 S
• Calculated formula: C24 H19 N O6 S
• SMILES: S1(=O)(=O)N(/C(=C(O)\c2cc(OC)ccc2)C(=O)c2c1cccc2)CC(=O)c1ccccc1
• Title of publication: 3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)-3,4-dihydro-2<i>H</i>-1λ^6^,2-benzothiazine-1,1,4-trione
• Authors of publication: Siddiqui, Hamid Latif; Ahmad, Matloob; Gul, Salman; Siddiqui, Waseeq Ahmad; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o978 - o979
• a: 17.9615 ± 0.0005 Å
• b: 11.2633 ± 0.0003 Å
• c: 19.5904 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3963.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes