Information card for entry 4504061

Structure parameters

• Common name: piroxicam:benzoic acid cocrystal (1:1)
• Chemical name: 4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine -3-carboxamide-1,1-dioxide benzoic acid
• Formula: C22 H19 N3 O6 S
• Calculated formula: C22 H19 N3 O6 S
• SMILES: C(=O)(C1=C([O-])c2ccccc2S(=O)(=O)N1C)Nc1cccc[nH+]1.c1(ccccc1)C(=O)O
• Title of publication: Cocrystals of Piroxicam with Carboxylic Acids
• Authors of publication: Childs, Scott L.; Hardcastle, Kenneth I.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 1291
• a: 10.579 ± 0.0008 Å
• b: 21.0495 ± 0.0016 Å
• c: 9.2413 ± 0.0008 Å
• α: 90°
• β: 95.152 ± 0.004°
• γ: 90°
• Cell volume: 2049.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No