Information card for entry 2230675

Structure parameters

• Chemical name: 2-Phenyl-1<i>H</i>-imidazol-3-ium hydrogen oxalate
• Formula: C11 H10 N2 O4
• Calculated formula: C11 H10 N2 O4
• SMILES: C(=O)(C(=O)O)[O-].c1ccccc1c1[nH]cc[nH+]1
• Title of publication: 2-Phenyl-1<i>H</i>-imidazol-3-ium hydrogen oxalate
• Authors of publication: Song, Jin-Na
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1773
• a: 5.571 ± 0.004 Å
• b: 9.216 ± 0.005 Å
• c: 11.918 ± 0.006 Å
• α: 70.262 ± 0.005°
• β: 80.46 ± 0.001°
• γ: 74.871 ± 0.005°
• Cell volume: 554 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes