Information card for entry 7212505

Structure parameters

• Common name: pyridazine
• Chemical name: pyridazine
• Formula: C4 H4 N2
• Calculated formula: C4 H4 N2
• SMILES: n1ncccc1
• Title of publication: Density, freezing and molecular aggregation in pyridazine, pyridine and benzene
• Authors of publication: Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 2561
• a: 3.8432 ± 0.0008 Å
• b: 10.964 ± 0.002 Å
• c: 9.778 ± 0.002 Å
• α: 90°
• β: 91.13 ± 0.03°
• γ: 90°
• Cell volume: 411.93 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Ambient diffracton pressure: 270000 kPa
• 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: 0.0779
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No