Information card for entry 2218669

Structure parameters

• Chemical name: (±)-1-(1<i>H</i>-Benzimidazol-2-yl)ethanol
• Formula: C9 H10 N2 O
• Calculated formula: C9 H10 N2 O
• SMILES: c12ccccc1[nH]c([C@H](C)O)n2
• Title of publication: (±)-1-(1<i>H</i>-Benzimidazol-2-yl)ethanol
• Authors of publication: Xia, Rong; Xu, Hai-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1223
• a: 13.734 ± 0.003 Å
• b: 15.376 ± 0.003 Å
• c: 7.9163 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1671.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes