Information card for entry 1546179

Structure parameters

• Chemical name: 1,2(bis-4-pyridyl)ethane fluorohydroquinone co-crystal
• Formula: C18 H17 F N2 O2
• Calculated formula: C18 H17 F N2 O2
• Title of publication: Hydrogen bonding vs. halogen bonding: the solvent decides
• Authors of publication: Robertson, Craig. C.; Wright, James S.; Carrington, Elliot J.; Perutz, Robin N.; Hunter, Christopher A.; Brammer, Lee
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 7.1689 ± 0.0013 Å
• b: 9.283 ± 0.0015 Å
• c: 11.8655 ± 0.0016 Å
• α: 95.669 ± 0.01°
• β: 91.769 ± 0.011°
• γ: 107.117 ± 0.013°
• Cell volume: 749.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No