Information card for entry 7119163

Structure parameters

• Chemical name: piroxicam
• Formula: C15 H13 N3 O4 S
• Calculated formula: C15 H13 N3 O4 S
• SMILES: S1(=O)(=O)N(C(=C(O)c2c1cccc2)C(=O)Nc1ncccc1)C
• Title of publication: Selective preparation of elusive and alternative single component polymorphic solid forms through multi-component crystallisation routes
• Authors of publication: Lynne H. Thomas; Craig Wales; Chick C. Wilson
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7372
• a: 12.6899 ± 0.0009 Å
• b: 14.6928 ± 0.0009 Å
• c: 20.5097 ± 0.0016 Å
• α: 84.866 ± 0.002°
• β: 74.669 ± 0.003°
• γ: 84.683 ± 0.002°
• Cell volume: 3663.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1569
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2094
• Weighted residual factors for all reflections included in the refinement: 0.2819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No