Information card for entry 1520174

Structure parameters

• Chemical name: maleic acid and 1-methylimidazole
• Formula: C8 H10 N2 O4
• Calculated formula: C8 H10 N2 O4
• SMILES: C(=O)(C[C@H](C(=O)[O-])[n+]1cn(cc1)C)O
• Title of publication: Maleic acid + 1-methylimidazole
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 523
• a: 7.711 ± 0.0002 Å
• b: 8.285 ± 0.0004 Å
• c: 13.844 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 884.43 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.671 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No