Information card for entry 7211938

Structure parameters

• Common name: Glutaric Acid & 4-Methylimidazole
• Chemical name: Glutaric Acid & 4-Methylimidazole
• Formula: C9 H14 N2 O4
• Calculated formula: C9 H14 N2 O4
• SMILES: C(=O)(CCCC(=O)O)[O-].c1[nH]cc(C)[nH+]1
• 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: 7.536 ± 0.0004 Å
• b: 14.218 ± 0.0008 Å
• c: 9.716 ± 0.0006 Å
• α: 90°
• β: 96.571 ± 0.003°
• γ: 90°
• Cell volume: 1034.2 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No