Information card for entry 2232661

Structure parameters

• Common name: Glutaric acid‒2-(pyridin-4-yl)-1<i>H</i>-benzimidazole (1/1)
• Chemical name: Pentane-1,5-dioic acid‒2-(pyridin-4-yl)-1<i>H</i>-benzimidazole (1/1)
• Formula: C17 H17 N3 O4
• Calculated formula: C17 H17 N3 O4
• SMILES: [nH]1c2c(nc1c1ccncc1)cccc2.OC(=O)CCCC(=O)O
• Title of publication: Glutaric acid‒2-(pyridin-4-yl)-1<i>H</i>-benzimidazole (1/1)
• Authors of publication: Lin, Songzhu; Jia, Ruokun; He, Aimin; Gao, Xiaoli
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3463
• a: 7.4384 ± 0.0015 Å
• b: 8.9911 ± 0.0018 Å
• c: 11.868 ± 0.002 Å
• α: 86.67 ± 0.03°
• β: 81.66 ± 0.03°
• γ: 85.57 ± 0.03°
• Cell volume: 782.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0853
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes