Information card for entry 2017036

Structure parameters

• Chemical name: 2,2'-bi(1<i>H</i>-imidazole) succinic acid
• Formula: C10 H12 N4 O4
• Calculated formula: C10 H12 N4 O4
• SMILES: c1(ncc[nH]1)c1ncc[nH]1.C(=O)(CCC(=O)O)O
• Title of publication: The crucial role of C—H···O and C=O···π interactions in the building of three-dimensional structures of dicarboxylic acid‒biimidazole compounds
• Authors of publication: Gao, Xiao-Li; Lu, Li-Ping; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o123 - o127
• a: 4.906 ± 0.003 Å
• b: 13.887 ± 0.008 Å
• c: 8.468 ± 0.005 Å
• α: 90°
• β: 94.839 ± 0.008°
• γ: 90°
• Cell volume: 574.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes