Information card for entry 1519994

Structure parameters

• Chemical name: Fumaric acid and 1,2-dimethylimidazole
• Formula: C9 H12 N2 O4
• Calculated formula: C9 H12 N2 O4
• SMILES: C(=O)(/C=C/C(=O)O)[O-].c1(C)n(cc[nH+]1)C
• Title of publication: 1,2-Dimethylimidazolium fumarate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 512
• a: 7.648 ± 0.0007 Å
• b: 11.673 ± 0.0009 Å
• c: 11.204 ± 0.0011 Å
• α: 90°
• β: 93.547 ± 0.004°
• γ: 90°
• Cell volume: 998.32 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.1724
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No