Information card for entry 2234086

Structure parameters

• Chemical name: (2-Bromophenyl)(4-hydroxy-1,1-dioxo-2<i>H</i>-1,2-benzothiazin-3-yl)methanone
• Formula: C15 H10 Br N O4 S
• Calculated formula: C15 H10 Br N O4 S
• SMILES: Brc1c(C(=O)C2=C(O)c3c(S(=O)(=O)N2)cccc3)cccc1
• Title of publication: (2-Bromophenyl)(4-hydroxy-1,1-dioxo-2<i>H</i>-1,2-benzothiazin-3-yl)methanone
• Authors of publication: Sattar, Nazia; Siddiqui, Hamid Latif; Siddiqui, Waseeq Ahmad; Akram, Muhammad; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1247
• a: 12.0433 ± 0.0004 Å
• b: 8.5491 ± 0.0003 Å
• c: 14.7841 ± 0.0005 Å
• α: 90°
• β: 106.395 ± 0.0019°
• γ: 90°
• Cell volume: 1460.27 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.073
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes