Information card for entry 2226135

Structure parameters

• Chemical name: 3-(Piperidin-1-yl)-6-(1<i>H</i>-pyrazol-1-yl)pyridazine
• Formula: C12 H15 N5
• Calculated formula: C12 H15 N5
• SMILES: c1cnn(c1)c1ccc(nn1)N1CCCCC1
• Title of publication: 3-(Piperidin-1-yl)-6-(1<i>H</i>-pyrazol-1-yl)pyridazine
• Authors of publication: Ather, Abdul Qayyum; Şahin, Onur; Khan, Islam Ullah; Khan, Misbahul Ain; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1295
• a: 5.9665 ± 0.0006 Å
• b: 20.189 ± 0.003 Å
• c: 9.9695 ± 0.0013 Å
• α: 90°
• β: 103.23 ± 0.007°
• γ: 90°
• Cell volume: 1169 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1405
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes