Information card for entry 2225301

Structure parameters

• Chemical name: (<i>E</i>)-1,2-Bis(1-propyl-5,6-dimethyl-1<i>H</i>-benzimidazol-2-yl)ethene
• Formula: C26 H32 N4
• Calculated formula: C26 H32 N4
• SMILES: n1c2cc(c(cc2n(c1/C=C/c1nc2c(n1CCC)cc(c(c2)C)C)CCC)C)C
• Title of publication: (<i>E</i>)-1,2-Bis(1-propyl-5,6-dimethyl-1<i>H</i>-benzimidazol-2-yl)ethene
• Authors of publication: Stibrany, Robert T.; Potenza, Joseph A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o585
• a: 12.7822 ± 0.0015 Å
• b: 10.4802 ± 0.0012 Å
• c: 16.5944 ± 0.0019 Å
• α: 90°
• β: 100.284 ± 0.002°
• γ: 90°
• Cell volume: 2187.3 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1514
• 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