Information card for entry 2234352

Structure parameters

• Chemical name: 1-(4-Chlorophenyl)-2-[4-hydroxy-3-(3-methoxybenzoyl)-1,1-dioxo-2<i>H</i>- 1λ^6^,2-benzothiazin-2-yl]ethanone
• Formula: C24 H18 Cl N O6 S
• Calculated formula: C24 H18 Cl N O6 S
• SMILES: Clc1ccc(C(=O)CN2S(=O)(=O)c3ccccc3C(=C2C(=O)c2cc(OC)ccc2)O)cc1
• Title of publication: 1-(4-Chlorophenyl)-2-[4-hydroxy-3-(3-methoxybenzoyl)-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazin-2-yl]ethanone
• Authors of publication: Siddiqui, Hamid Latif; Ahmad, Matloob; Gul, Salman; Ashraf, Chaudhary Muhammad; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1058 - o1059
• a: 7.2656 ± 0.0002 Å
• b: 11.4237 ± 0.0004 Å
• c: 12.8997 ± 0.0005 Å
• α: 97.147 ± 0.002°
• β: 96.934 ± 0.002°
• γ: 91.166 ± 0.002°
• Cell volume: 1053.91 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0732
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes