Information card for entry 2221230

Structure parameters

• Chemical name: 1,4-Bis(benzimidazol-2-yl)benzene dimethylformamide disolvate
• Formula: C26 H28 N6 O2
• Calculated formula: C26 H28 N6 O2
• SMILES: c1c(ccc(c1)c1nc2c(cccc2)[nH]1)c1nc2ccccc2[nH]1.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: 1,4-Bis(benzimidazol-2-yl)benzene dimethylformamide disolvate
• Authors of publication: Wu, De-Hong; Hu, Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o522
• a: 6.3556 ± 0.0013 Å
• b: 20.931 ± 0.002 Å
• c: 9.0097 ± 0.0018 Å
• α: 90°
• β: 98.26 ± 0.02°
• γ: 90°
• Cell volume: 1186.1 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes