Information card for entry 7211942

Structure parameters

• Common name: Oxalic acid & 2-methylimidazole
• Chemical name: Oxalic acid & 2-methylimidazole
• Formula: C10 H14 N4 O4
• Calculated formula: C10 H14 N4 O4
• SMILES: C(=O)(C(=O)[O-])[O-].c1(C)[nH]cc[nH+]1.c1(C)[nH]cc[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: 13.3293 ± 0.0019 Å
• b: 13.1137 ± 0.0016 Å
• c: 14.023 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2451.2 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No