Information card for entry 1546486

Structure parameters

• Common name: 44'Bipyridyl + 2-Fluorobenzoic acid cocrystal
• Chemical name: 4,4'-Bipyridyl 2-Fluorobenzoic Acid
• Formula: C17 H13 F N2 O2
• Calculated formula: C17 H13 F N2 O2
• SMILES: c1cnccc1c1ccncc1.c1cccc(c1C(=O)O)F
• Title of publication: Will they co-crystallize?
• Authors of publication: Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 36
• Pages of publication: 5336 - 5340
• a: 11.012 ± 0.002 Å
• b: 4.0528 ± 0.0008 Å
• c: 32.335 ± 0.006 Å
• α: 90°
• β: 94.648 ± 0.004°
• γ: 90°
• Cell volume: 1438.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1823
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No