Information card for entry 4512652

Structure parameters

• Common name: piroxicam
• Formula: C15 H13 N3 O4 S
• Calculated formula: C15 H13 N3 O4 S
• SMILES: c12ccccc1C(=C(C(=O)Nc1ccccn1)N(C)S2(=O)=O)O
• Title of publication: Crystallization Optimization of Pharmaceutical Solid Forms with X-ray Compatible Microfluidic Platforms
• Authors of publication: Horstman, Elizabeth M.; Goyal, Sachit; Pawate, Ashtamurthy; Lee, Garam; Zhang, Geoff G. Z.; Gong, Yuchuan; Kenis, Paul J. A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1201
• a: 7.135 ± 0.001 Å
• b: 15.15 ± 0.001 Å
• c: 13.955 ± 0.001 Å
• α: 90 ± 0.001°
• β: 97.408 ± 0.002°
• γ: 90 ± 0.001°
• Cell volume: 1495.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1506
• Residual factor for significantly intense reflections: 0.1462
• Weighted residual factors for significantly intense reflections: 0.2483
• Weighted residual factors for all reflections included in the refinement: 0.2522
• Goodness-of-fit parameter for all reflections included in the refinement: 0.796
• Diffraction radiation wavelength: 0.72932 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No