Information card for entry 2224202

Structure parameters

• Chemical name: Imidazolium 4-aminobenzoate
• Formula: C10 H11 N3 O2
• Calculated formula: C10 H11 N3 O2
• SMILES: [O-]C(=O)c1ccc(N)cc1.[nH]1c[nH+]cc1
• Title of publication: Imidazolium 4-aminobenzoate
• Authors of publication: Moreno-Fuquen, Rodolfo; Kennedy, Alan R.; Gilmour, Denise; De Almeida Santos, R. H.; Viana, Rommel B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3044 - o3045
• a: 7.2038 ± 0.0005 Å
• b: 11.6812 ± 0.0006 Å
• c: 12.0152 ± 0.0006 Å
• α: 90°
• β: 105.223 ± 0.006°
• γ: 90°
• Cell volume: 975.59 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes