Information card for entry 2023407

Structure parameters

• Chemical name: 1-[1-(2,6-Difluorophenyl)-2-phenylethyl]pyrrolidin-1-ium chloride
• Formula: C18 H20 Cl F2 N
• Calculated formula: C18 H20 Cl F2 N
• Title of publication: Synthesis and crystal structures of five fluorinated diphenidine derivatives.
• Authors of publication: Mewis, Ryan E.; Hulme, Matthew C.; Marron, Jack; Langley, Stuart K.; Sutcliffe, Oliver B.; Benjamin, Sophie L.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 3
• Pages of publication: 229 - 234
• a: 8.1365 ± 0.0004 Å
• b: 12.7421 ± 0.001 Å
• c: 16.0451 ± 0.0008 Å
• α: 88.059 ± 0.005°
• β: 82.349 ± 0.004°
• γ: 86.14 ± 0.005°
• Cell volume: 1644.42 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.1033
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2001
• Weighted residual factors for all reflections included in the refinement: 0.2059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No