Information card for entry 2204732

Structure parameters

• Common name: pyridazinic dicarboxylic acid
• Chemical name: pyridazine-3,6-dicarboxylic acid monohydrate
• Formula: C6 H6 N2 O5
• Calculated formula: C6 H6 N2 O5
• SMILES: OC(=O)c1nnc(cc1)C(=O)O.O
• Title of publication: Pyridazine-3,6-dicarboxylic acid monohydrate
• Authors of publication: Starosta Wojciech; Leciejewicz Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2219 - o2220
• a: 6.963 ± 0.0014 Å
• b: 7.2888 ± 0.0015 Å
• c: 8.0319 ± 0.0016 Å
• α: 80.3 ± 0.03°
• β: 77.48 ± 0.03°
• γ: 70.66 ± 0.03°
• Cell volume: 373.41 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes