Information card for entry 2234351

Structure parameters

• Chemical name: 2-[2-(3-Chlorophenyl)-2-oxoethyl]-4-hydroxy-3-(3-methoxybenzoyl)- 2<i>H</i>-1λ^6^,2-benzothiazine-1,1-dione
• Formula: C24 H18 Cl N O6 S
• Calculated formula: C24 H18 Cl N O6 S
• SMILES: Clc1cc(C(=O)CN2S(=O)(=O)c3ccccc3C(=C2C(=O)c2cc(OC)ccc2)O)ccc1
• Title of publication: 2-[2-(3-Chlorophenyl)-2-oxoethyl]-4-hydroxy-3-(3-methoxybenzoyl)-2<i>H</i>-1λ^6^,2-benzothiazine-1,1-dione
• 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: o980 - o981
• a: 10.2562 ± 0.0003 Å
• b: 10.9602 ± 0.0003 Å
• c: 11.3861 ± 0.0004 Å
• α: 116.546 ± 0.0015°
• β: 105.322 ± 0.0013°
• γ: 97.2383 ± 0.0014°
• Cell volume: 1059.17 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1016
• 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