Information card for entry 7211941

Structure parameters

• Common name: Methyloxalate & 1-methylimidazolium
• Chemical name: Methyloxalate & 1-methylimidazolium
• Formula: C7 H10 N2 O4
• Calculated formula: C7 H10 N2 O4
• SMILES: C(=O)(C(=O)[O-])OC.c1n(cc[nH+]1)C
• 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: 6.4624 ± 0.0004 Å
• b: 18.8186 ± 0.001 Å
• c: 7.1493 ± 0.0005 Å
• α: 90°
• β: 98.878 ± 0.004°
• γ: 90°
• Cell volume: 859.03 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No