Information card for entry 2216467

Structure parameters

• Chemical name: N-(3,5-Dimethylpyrazol-1-ylmethyl)pyridin-2-ylamine
• Formula: C11 H14 N4
• Calculated formula: C11 H14 N4
• SMILES: n1(nc(cc1C)C)CNc1ncccc1
• Title of publication: <i>N</i>-(3,5-Dimethylpyrazol-1-ylmethyl)pyridin-2-ylamine
• Authors of publication: Benchat, Nour-Eddine; El Kadiri, Sghir; Fontrodona, Xavier; Bardaji, Eduard; El Bali, Brahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4519 - o4519
• a: 8.4299 ± 0.0013 Å
• b: 8.572 ± 0.0014 Å
• c: 9.1803 ± 0.0015 Å
• α: 70.283 ± 0.003°
• β: 89.506 ± 0.003°
• γ: 61.056 ± 0.002°
• Cell volume: 536.77 ± 0.15 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1364
• 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