Information card for entry 2227104

Structure parameters

• Chemical name: 3-Chloro-6-(1<i>H</i>-pyrazol-1-yl)pyridazine
• Formula: C7 H5 Cl N4
• Calculated formula: C7 H5 Cl N4
• SMILES: Clc1nnc(n2nccc2)cc1
• Title of publication: 3-Chloro-6-(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 AparecidaSilicz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2016
• a: 5.684 ± 0.003 Å
• b: 6.526 ± 0.003 Å
• c: 11.13 ± 0.006 Å
• α: 83 ± 0.03°
• β: 77.64 ± 0.02°
• γ: 88.04 ± 0.03°
• Cell volume: 400.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1286
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes