Information card for entry 2243833

Structure parameters

• Chemical name: 2-(4-Hexyloxyphenyl)-1<i>H</i>-benzimidazole
• Formula: C26 H28 N2 O
• Calculated formula: C26 H28 N2 O
• SMILES: O(c1ccc(c2n(c3c(n2)cccc3)Cc2ccccc2)cc1)CCCCCC
• Title of publication: Synthesis and crystal structures of <i>N</i>-H, <i>N</i>-phenyl and <i>N</i>-benzyl-2-(4-hexyloxyphenyl)benzimidazoles
• Authors of publication: Smirnov, Daniil E.; Tatarin, Sergei V.; Bezzubov, Stanislav I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 6
• Pages of publication: 618 - 622
• a: 14.3057 ± 0.0013 Å
• b: 9.6392 ± 0.0007 Å
• c: 16.3024 ± 0.0013 Å
• α: 90°
• β: 108.977 ± 0.003°
• γ: 90°
• Cell volume: 2125.8 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.068
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes