Information card for entry 2022865

Structure parameters

• Chemical name: 3-Ferrocenyl-1-(pyridin-2-yl)-1<i>H</i>-pyrazol-5-amine
• Formula: C18 H16 Fe N4
• Calculated formula: C18 H16 Fe N4
• Title of publication: Synthesis, crystal structure, and Hirshfeld surface analysis of 3-ferrocenyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
• Authors of publication: Joekar, Delara; Hiscock, Lana K.; Dawe, Louise N.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 10
• a: 17.349 ± 0.008 Å
• b: 6.894 ± 0.003 Å
• c: 12.173 ± 0.005 Å
• α: 90°
• β: 92.878 ± 0.012°
• γ: 90°
• Cell volume: 1454.1 ± 1.1 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes