Information card for entry 2225653

Structure parameters

• Common name: (3-Chlorophenyl)(4-hydroxy-1,1-dioxo-2<i>H</i>-1,2-benzothiazin-3-yl)methanone
• Chemical name: 3-(3-Chlorobenzoyl)-4-hydroxy-2<i>H</i>-1,2-benzothiazine 1,1-dioxide
• Formula: C15 H10 Cl N O4 S
• Calculated formula: C15 H10 Cl N O4 S
• SMILES: Clc1cc(C(=O)C2=C(O)c3c(S(=O)(=O)N2)cccc3)ccc1
• Title of publication: 3-(3-Chlorobenzoyl)-4-hydroxy-2<i>H</i>-1,2-benzothiazine 1,1-dioxide
• Authors of publication: Khalid, Zunera; Siddiqui, Hamid Latif; Ahmad, Matloob; Aslam, Sana; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o885
• a: 4.7151 ± 0.0003 Å
• b: 12.2879 ± 0.0008 Å
• c: 12.5809 ± 0.0006 Å
• α: 81.375 ± 0.003°
• β: 84.463 ± 0.003°
• γ: 85.608 ± 0.003°
• Cell volume: 715.88 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes