Information card for entry 2226117

Structure parameters

• Chemical name: <i>N</i>-Phenyl-6-(1<i>H</i>-pyrazol-1-yl)pyridazin-3-amine
• Formula: C13 H11 N5
• Calculated formula: C13 H11 N5
• SMILES: c1(ccccc1)Nc1ccc(nn1)n1cccn1
• Title of publication: <i>N</i>-Phenyl-6-(1<i>H</i>-pyrazol-1-yl)pyridazin-3-amine
• Authors of publication: Ather, Abdul Qayyum; Tahir, M. Nawaz; Khan, Misbahul Ain; Athar, Muhammad Makshoof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1327
• a: 11.3533 ± 0.0007 Å
• b: 9.4214 ± 0.0005 Å
• c: 21.6603 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2316.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes