Information card for entry 2015400

Structure parameters

• Common name: Piroxicam Benzoate
• Chemical name: 4-Benzoyloxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
• Formula: C22 H17 N3 O5 S
• Calculated formula: C22 H17 N3 O5 S
• SMILES: C1(=C(c2ccccc2S(=O)(=O)N1C)OC(=O)c1ccccc1)C(=O)Nc1ccccn1
• Title of publication: 4-Benzoyloxy-2-methyl-<i>N</i>-(2-pyridyl)-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide
• Authors of publication: Tatiana N. Drebushchak; Natalia N. Pankrushina; Tatiana P. Shakhtshneider; Svetlana A. Apenina
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o429 - o431
• a: 11.106 ± 0.003 Å
• b: 16.5606 ± 0.0016 Å
• c: 12.0351 ± 0.0018 Å
• α: 90°
• β: 111.463 ± 0.012°
• γ: 90°
• Cell volume: 2060 ± 0.7 ų
• Cell temperature: 295 ± 3 K
• Ambient diffraction temperature: 295 ± 3 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1349
• 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