Information card for entry 7224759

Structure parameters

• Common name: Oxaprozin
• Chemical name: Oxaprozin
• Formula: C18 H15 N O3
• Calculated formula: C18 H15 N O3
• SMILES: o1c(c2ccccc2)c(nc1CCC(=O)O)c1ccccc1
• Title of publication: Novel solid forms of oxaprozin: cocrystals and an extended release drug-drug salt of salbutamol
• Authors of publication: Aitipamula, Srinivasulu; Wong, Annie B.H.; Chow, Pui Shan; Tan, Reginald B. H.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.3129 ± 0.0005 Å
• b: 7.646 ± 0.0003 Å
• c: 36.7642 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2898.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No