Information card for entry 7151589

Structure parameters

• Formula: C2 H7 Cl F N
• Calculated formula: C2 H7 Cl F N
• SMILES: [Cl-].C([NH3+])CF
• Title of publication: The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.
• Authors of publication: Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 732 - 740
• a: 7.621 ± 0.001 Å
• b: 8.543 ± 0.001 Å
• c: 14.83 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 965.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0344
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No