Information card for entry 7133693

Structure parameters

• Chemical name: (E)-N,1-bis(1-methyl-1H-pyrazol-4-yl)methanimine
• Formula: C9 H11 N5
• Calculated formula: C9 H11 N5
• Title of publication: Iminobispyrazole (IBP) Photoswitches: Two Pyrazole Rings Can Be Better Than One
• Authors of publication: Wu, Jiarong; Li, Clara; Kreimendahl, Lasse; Greenfield, Jake L.
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 12.5417 ± 0.0018 Å
• b: 8.2315 ± 0.001 Å
• c: 9.3787 ± 0.0008 Å
• α: 90°
• β: 101.952 ± 0.007°
• γ: 90°
• Cell volume: 947.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0357
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No