Information card for entry 2232393

Structure parameters

• Chemical name: 4-[1-(4-Hydroxy-3-methoxybenzyl)-1<i>H</i>-benzimidazol-2-yl]-2-methoxyphenol
• Formula: C22 H20 N2 O4
• Calculated formula: C22 H20 N2 O4
• SMILES: c12c(cccc1)nc(c1ccc(c(c1)OC)O)n2Cc1cc(c(cc1)O)OC
• Title of publication: 4-[1-(4-Hydroxy-3-methoxybenzyl)-1<i>H</i>-benzimidazol-2-yl]-2-methoxyphenol
• Authors of publication: Xiao, Zuo-an; Gao, Tao; Huang, Fa-jun; Jiang, Ting-ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3087
• a: 7.9717 ± 0.0009 Å
• b: 16.4327 ± 0.0019 Å
• c: 14.356 ± 0.0016 Å
• α: 90°
• β: 95.133 ± 0.002°
• γ: 90°
• Cell volume: 1873 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes