Information card for entry 2221988

Structure parameters

• Common name: 3-[1-(3-Hydroxybenzyl)-1<i>H</i>-benzimidazol-2-yl]phenol
• Chemical name: 3-[1-(3-Hydroxybenzyl)-1<i>H</i>-benzimidazol-2-yl]phenol
• Formula: C20 H16 N2 O2
• Calculated formula: C20 H16 N2 O2
• SMILES: Oc1cc(c2n(c3ccccc3n2)Cc2cccc(O)c2)ccc1
• Title of publication: 3-[1-(3-Hydroxybenzyl)-1<i>H</i>-benzimidazol-2-yl]phenol
• Authors of publication: Eltayeb, Naser Eltaher; Teoh, Siang Guan; Fun, Hoong-Kun; Jebas, Samuel Robinson; Adnan, Rohana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1374 - o1375
• a: 10.5128 ± 0.0002 Å
• b: 12.1096 ± 0.0002 Å
• c: 12.5235 ± 0.0002 Å
• α: 90°
• β: 96.948 ± 0.001°
• γ: 90°
• Cell volume: 1582.61 ± 0.05 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: 0.0611
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes