Information card for entry 2214914

Structure parameters

• Chemical name: 4-(1H-Benzo[d]imidazol-2-yl)phenol
• Formula: C13 H10 N2 O
• Calculated formula: C13 H10 N2 O
• SMILES: Oc1ccc(c2nc3ccccc3[nH]2)cc1
• Title of publication: 4-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)phenol
• Authors of publication: Qing-Guang Zhan; Mao-Sheng Liu; Rong-Hua Zeng; Ding-Qiao Yang; Yue-Peng Cai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3470 - o3470
• a: 7.1679 ± 0.0003 Å
• b: 15.1517 ± 0.0006 Å
• c: 9.9079 ± 0.0004 Å
• α: 90°
• β: 90.556 ± 0.002°
• γ: 90°
• Cell volume: 1076.01 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes