Information card for entry 7211934

Structure parameters

• Common name: fumaric acid & 2-methylimidazole
• Chemical name: fumaric acid & 2-methylimidazole
• Formula: C8 H10 N2 O4
• Calculated formula: C8 H10 N2 O4
• Title of publication: A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 898
• a: 8.0829 ± 0.0005 Å
• b: 6.2852 ± 0.0004 Å
• c: 9.0979 ± 0.0006 Å
• α: 90°
• β: 97.551 ± 0.004°
• γ: 90°
• Cell volume: 458.19 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No