Information card for entry 7223187

Structure parameters

• Chemical name: Triflusal-Propionamide cocrystal
• Formula: C13 H14 F3 N O5
• Calculated formula: C13 H14 F3 N O5
• Title of publication: Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization
• Authors of publication: Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 48
• Pages of publication: 9323
• a: 18.729 ± 0.006 Å
• b: 9.921 ± 0.003 Å
• c: 8.067 ± 0.003 Å
• α: 90°
• β: 97.605 ± 0.004°
• γ: 90°
• Cell volume: 1485.7 ± 0.9 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0453
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No