Information card for entry 2234615

Structure parameters

• Chemical name: 2,2'-(Ethane-1,2-diyl)bis(1<i>H</i>-benzimidazole)
• Formula: C16 H14 N4
• Calculated formula: C16 H14 N4
• SMILES: c12c(cccc2)nc([nH]1)CCc1nc2c(cccc2)[nH]1
• Title of publication: 2,2'-(Ethane-1,2-diyl)bis(1<i>H</i>-benzimidazole)
• Authors of publication: Chen, Xu; Wu, Xiao-Yong; Zhao, Guo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1321
• a: 8.4295 ± 0.0018 Å
• b: 9.924 ± 0.002 Å
• c: 15.351 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1284.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes