Information card for entry 2221585

Structure parameters

• Common name: (<i>S</i>)-2-(1<i>H</i>-Imidazol-1-yl)succinic acid
• Chemical name: (<i>S</i>)-3-carboxy-2-(imidazol-3-ium-1-yl)propanoate
• Formula: C7 H8 N2 O4
• Calculated formula: C7 H8 N2 O4
• SMILES: C(=O)([C@@H](CC(=O)O)n1cc[nH+]c1)[O-]
• Title of publication: (<i>S</i>)-2-(1<i>H</i>-Imidazol-1-yl)succinic acid
• Authors of publication: Xiao, Jing-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1157
• a: 7.3212 ± 0.0016 Å
• b: 7.9193 ± 0.0016 Å
• c: 14.254 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 826.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes