Information card for entry 2022737

Structure parameters

• Chemical name: 4-Fluoro-1<i>H</i>-pyrazole
• Formula: C3 H3 F N2
• Calculated formula: C3 H3 F N2
• Title of publication: Crystal and mol-ecular structure of 4-fluoro-1<i>H</i>-pyrazole at 150 K.
• Authors of publication: Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 5
• Pages of publication: 428 - 431
• a: 5.6045 ± 0.0002 Å
• b: 7.4315 ± 0.0003 Å
• c: 9.5396 ± 0.0004 Å
• α: 71.689 ± 0.002°
• β: 87.731 ± 0.002°
• γ: 84.968 ± 0.002°
• Cell volume: 375.72 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes