Information card for entry 1547566

Structure parameters

• Formula: C4 H4 N2 O2
• Calculated formula: C4 H4 N2 O2
• SMILES: c1cccn(=O)n1=O
• Title of publication: Synthesis of N,N-Dioxopyridazines.
• Authors of publication: Rozen, Shlomo; Shaffer, Avshalom
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 4707 - 4709
• a: 3.8868 ± 0.0003 Å
• b: 5.4329 ± 0.0005 Å
• c: 10.8693 ± 0.001 Å
• α: 90°
• β: 97.068 ± 0.005°
• γ: 90°
• Cell volume: 227.78 ± 0.03 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No