Information card for entry 2227520

Structure parameters

• Chemical name: 3-Chloro-6-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)pyridazine
• Formula: C9 H9 Cl N4
• Calculated formula: C9 H9 Cl N4
• SMILES: Clc1nnc(n2nc(cc2C)C)cc1
• Title of publication: 3-Chloro-6-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)pyridazine
• Authors of publication: Ather, Abdul Qayyum; Tahir, M. Nawaz; Khan, Misbahul Ain; Athar, Muhammad Makshoof; Bueno, Eliana Aparecida Silicz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2493
• a: 11.2773 ± 0.0003 Å
• b: 8.4181 ± 0.0002 Å
• c: 11.3501 ± 0.0003 Å
• α: 90°
• β: 116.529 ± 0.001°
• γ: 90°
• Cell volume: 964.05 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0369
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes