Information card for entry 1520212

Structure parameters

• Chemical name: Glutaric acid & 2-methylimidazole
• Formula: C9 H14 N2 O4
• Calculated formula: C9 H14 N2 O4
• SMILES: OC(=O)CCCC(=O)[O-].[nH]1c([nH+]cc1)C
• Title of publication: 2-Methylimidazolium glutarate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 472
• a: 5.38 ± 0.0003 Å
• b: 8.1542 ± 0.0006 Å
• c: 12.6592 ± 0.001 Å
• α: 78.35 ± 0.004°
• β: 82.962 ± 0.004°
• γ: 84.496 ± 0.004°
• Cell volume: 538.37 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.1675
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No