Information card for entry 2228638

Structure parameters

• Chemical name: 1,4-Bis(1<i>H</i>-benzimidazol-2-yl)benzene methanol monosolvate
• Formula: C21 H18 N4 O
• Calculated formula: C21 H18 N4 O
• SMILES: c1c(c2nc3ccccc3[nH]2)ccc(c2nc3ccccc3[nH]2)c1.OC
• Title of publication: 1,4-Bis(1<i>H</i>-benzimidazol-2-yl)benzene methanol monosolvate
• Authors of publication: Su, Jiang-Bo; Lin, Shen; Chen, Li-Juan; Yang, Ming-Xing; Huang, Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o90
• a: 7.173 ± 0.0014 Å
• b: 10.599 ± 0.002 Å
• c: 12.26 ± 0.003 Å
• α: 76.21 ± 0.03°
• β: 88.37 ± 0.03°
• γ: 77.01 ± 0.03°
• Cell volume: 881.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes