Information card for entry 2239600

Structure parameters

• Chemical name: 1,4-Bis(1<i>H</i>-benzimidazol-2-yl)benzene
• Formula: C20 H14 N4
• Calculated formula: C20 H14 N4
• SMILES: n1c2ccccc2[nH]c1c1ccc(cc1)c1nc2ccccc2[nH]1
• Title of publication: A third polymorph of 1,4-bis(1<i>H</i>-benzimidazol-2-yl)benzene
• Authors of publication: Fu, Wei-Wei; Liang, Yan-Fei; Liu, Yang; Zhu, Xiao-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o699
• a: 16.196 ± 0.003 Å
• b: 20.174 ± 0.003 Å
• c: 9.901 ± 0.0016 Å
• α: 90°
• β: 106.733 ± 0.003°
• γ: 90°
• Cell volume: 3098.1 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes