Information card for entry 4504059

Structure parameters

• Common name: piroxicam:4-hydroxybenzoic acid cocrystal, Form 2 (1:1)
• Chemical name: 4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine -3-carboxamide-1,1-dioxide 4-hydroxybenzoic acid
• Formula: C22 H19 N3 O7 S
• Calculated formula: C22 H19 N3 O7 S
• SMILES: C1(=C([O-])c2ccccc2S(=O)(=O)N1C)C(=O)Nc1cccc[nH+]1.c1(ccc(cc1)C(=O)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: 7.4086 ± 0.001 Å
• b: 10.9004 ± 0.0015 Å
• c: 12.9268 ± 0.0017 Å
• α: 95.965 ± 0.003°
• β: 100.576 ± 0.003°
• γ: 96.858 ± 0.002°
• Cell volume: 1010.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No