Information card for entry 2206935

Structure parameters

• Chemical name: Bis(benzimidazol-2-yl)methane
• Formula: C15 H12 N4
• Calculated formula: C15 H12 N4
• SMILES: n1c2c([nH]c1Cc1nc3ccccc3[nH]1)cccc2
• Title of publication: Bis(benzimidazol-2-yl)methane
• Authors of publication: Gui-Yun Duan; Ya-Wei Sun; Jun-Zhi Liu; Jian-Wu Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3476 - o3477
• a: 18.296 ± 0.004 Å
• b: 18.296 ± 0.004 Å
• c: 15.728 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5264.8 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1303
• 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