Information card for entry 2230603

Structure parameters

• Chemical name: 1,4-Bis(1<i>H</i>-benzimidazol-1-yl)but-2-ene
• Formula: C18 H16 N4
• Calculated formula: C18 H16 N4
• SMILES: n1(cnc2ccccc12)C/C=C/Cn1cnc2ccccc12
• Title of publication: 1,4-Bis(1<i>H</i>-benzimidazol-1-yl)but-2-ene
• Authors of publication: Dong, Gui-Ying; Liu, Tong-Fei; Jiao, Cui-Huan; Deng, Xiao-Chen; Shi, Xiao-Ge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1797
• a: 12.564 ± 0.003 Å
• b: 9.14 ± 0.002 Å
• c: 18.131 ± 0.003 Å
• α: 90°
• β: 127.281 ± 0.012°
• γ: 90°
• Cell volume: 1656.7 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0971
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes