Information card for entry 2231492

Structure parameters

• Chemical name: 1,4-Bis(1<i>H</i>-benzimidazol-1-yl)benzene
• Formula: C20 H14 N4
• Calculated formula: C20 H14 N4
• SMILES: n1cn(c2c1cccc2)c1ccc(n2cnc3c2cccc3)cc1
• Title of publication: 1,4-Bis(1<i>H</i>-benzimidazol-1-yl)benzene
• Authors of publication: Sun, Guo-Feng; Hu, Jian-Ping; Tang, Dian-Yong; Zhang, Yuan-Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2286
• a: 9.5458 ± 0.0019 Å
• b: 20.499 ± 0.004 Å
• c: 7.9283 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1551.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 101.3 kPa
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes