Information card for entry 2203094

Structure parameters

• Chemical name: 2-(2-pyridyl)benzo[1,2-d-4,5-d']diimidazole
• Formula: C13 H9 N5
• Calculated formula: C13 H9 N5
• SMILES: c1cccc(c2[nH]c3c(cc4c(c3)nc[nH]4)n2)n1
• Title of publication: 2-(2-Pyridyl)benzo[1,2-<i>d</i>;4,5-<i>d</i>']diimidazole
• Authors of publication: Lin, Xiao-Ju; Li, Yi-Zhi; Xu, Hai-Jun; Liu, Sheng-Gui; Xu, Li; Shen, Zhen; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o77 - o78
• a: 10.3841 ± 0.0013 Å
• b: 10.0409 ± 0.0013 Å
• c: 21.911 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2284.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes