Information card for entry 2016387

Structure parameters

• Chemical name: N-(2-chlorophenyl)-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
• Formula: C16 H13 Cl N2 O4 S
• Calculated formula: C16 H13 Cl N2 O4 S
• SMILES: Clc1c(NC(=O)C2=C(O)c3c(S(=O)(=O)N2C)cccc3)cccc1
• Title of publication: <i>N</i>-(<i>X</i>-Chlorophenyl)-4-hydroxy-2-methyl-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide (with <i>X</i> = 2 and 4)
• Authors of publication: Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Tariq, Muhammad Ilyas; Siddiqui, Hamid Latif; Parvez, Masood
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o4 - o6
• a: 7.75 ± 0.002 Å
• b: 28.588 ± 0.007 Å
• c: 7.519 ± 0.001 Å
• α: 90°
• β: 106.63 ± 0.012°
• γ: 90°
• Cell volume: 1596.2 ± 0.6 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: 0.0453
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes