Information card for entry 7241285

Structure parameters

• Common name: flufenamic acid 2,2'-bipyridine (2:1) co-crystal
• Formula: C19 H14 F3 N2 O2
• Calculated formula: C19 H14 F3 N2 O2
• Title of publication: From structure to crystallisation and pharmaceutical manufacturing: the CSD in CMAC Workflows
• Authors of publication: Hatcher, Lauren E.; Burgess, Ayrton J.; Payne, Pollyanna; Wilson, Chick C.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 9.655 ± 0.0008 Å
• b: 7.8337 ± 0.0004 Å
• c: 21.8957 ± 0.0016 Å
• α: 90°
• β: 100.355 ± 0.007°
• γ: 90°
• Cell volume: 1629.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1393
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No