Information card for entry 2213442

Structure parameters

• Chemical name: 1,1'-Bi-1H-benzimidazole-2,2'-dicarbaldehyde
• Formula: C16 H10 N4 O2
• Calculated formula: C16 H10 N4 O2
• SMILES: n1(c2c(nc1C=O)cccc2)n1c2c(nc1C=O)cccc2
• Title of publication: 1,1'-Bi-1<i>H</i>-benzimidazole-2,2'-dicarbaldehyde
• Authors of publication: Bohle, D. Scott; Fotie, Jean
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2075 - o2076
• a: 6.819 ± 0.0016 Å
• b: 9.216 ± 0.002 Å
• c: 11.619 ± 0.003 Å
• α: 68.246 ± 0.002°
• β: 76.938 ± 0.003°
• γ: 73.881 ± 0.003°
• Cell volume: 645.3 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 373 ± 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: 0.073
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes