Information card for entry 2221508

Structure parameters

• Chemical name: 2,2'-(2,2'-Biimidazole-1,1'-diyl)diethanoic acid
• Formula: C10 H10 N4 O4
• Calculated formula: C10 H10 N4 O4
• SMILES: OC(=O)Cn1c(ncc1)c1n(ccn1)CC(=O)O
• Title of publication: 2,2'-(2,2'-Biimidazole-1,1'-diyl)diethanoic acid
• Authors of publication: Zhang, Tingting; Zhang, Tao; Ren, Yingtao; Liang, Hongze
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o904
• a: 8.4327 ± 0.0017 Å
• b: 15.116 ± 0.003 Å
• c: 16.702 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2129 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes