Information card for entry 2243835

Structure parameters

• Chemical name: 1-Benzyl-2-(4-hexyloxyphenyl)-1<i>H</i>-benzimidazole
• Formula: C19 H22 N2 O
• Calculated formula: C19 H22 N2 O
• SMILES: O(c1ccc(c2[nH]c3c(n2)cccc3)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: 9.3802 ± 0.0013 Å
• b: 9.4076 ± 0.0013 Å
• c: 37.235 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3285.8 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.2222
• Weighted residual factors for all reflections included in the refinement: 0.2332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes