Information card for entry 2223904

Structure parameters

• Chemical name: Imidazolium fumarate
• Formula: C7 H8 N2 O4
• Calculated formula: C7 H8 N2 O4
• SMILES: [O-]C(=O)/C=C/C(=O)O.[nH]1c[nH+]cc1
• Title of publication: Imidazolium fumarate
• Authors of publication: Moreno-Fuquen, Rodolfo; Ellena, Javier; Theodoro, Jahyr E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2717
• a: 7.4794 ± 0.0004 Å
• b: 7.7522 ± 0.0003 Å
• c: 8.4231 ± 0.0004 Å
• α: 69.695 ± 0.003°
• β: 81.415 ± 0.002°
• γ: 66.193 ± 0.002°
• Cell volume: 419.04 ± 0.04 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.0672
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes