Information card for entry 2237028

Structure parameters

• Chemical name: 1-[4-(Prop-2-en-1-yloxy)benzyl]-2-[4-(prop-2-en-1-yloxy)phenyl]- 1<i>H</i>-benzimidazole
• Formula: C26 H24 N2 O2
• Calculated formula: C26 H24 N2 O2
• SMILES: O(c1ccc(Cn2c(nc3c2cccc3)c2ccc(OCC=C)cc2)cc1)CC=C
• Title of publication: 1-[4-(Prop-2-en-1-yloxy)benzyl]-2-[4-(prop-2-en-1-yloxy)phenyl]-1<i>H</i>-benzimidazole
• Authors of publication: Rahman, Md. Lutfor; Kwong, Huey Chong; Mohd. Yusoff, Mashitah; Hegde, Gurumurthy; Mohamed Tahir, Mohamed Ibrahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3311 - o3312
• a: 12.5455 ± 0.0001 Å
• b: 10.1989 ± 0.0001 Å
• c: 15.934 ± 0.0002 Å
• α: 90°
• β: 99.5027 ± 0.0011°
• γ: 90°
• Cell volume: 2010.78 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9888
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes