Information card for entry 7211940

Structure parameters

• Common name: Glutaric acid & 1,2-dimethylimidazole
• Chemical name: Glutaric acid & 1,2-dimethylimidazole
• Formula: C10 H16 N2 O4
• Calculated formula: C10 H16 N2 O4
• SMILES: C(=O)(CCCC(=O)O)[O-].c1(C)n(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: 10.4056 ± 0.0016 Å
• b: 22.888 ± 0.004 Å
• c: 4.6392 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1104.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1862
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No