Information card for entry 2005975

Structure parameters

• Formula: C14 H12 N2 O2
• Calculated formula: C14 H12 N2 O2
• SMILES: Oc1c(OC)cccc1c1nc2ccccc2[nH]1
• Title of publication: 2-(3-Methoxy-2-hydroxyphenyl)benzimidazole
• Authors of publication: Elerman, Y.; Kabak, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 372 - 374
• a: 7.737 ± 0.001 Å
• b: 12.249 ± 0.001 Å
• c: 12.247 ± 0.001 Å
• α: 90°
• β: 94.17 ± 0.01°
• γ: 90°
• Cell volume: 1157.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.079
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.152
• Weighted residual factors for significantly intense reflections: 0.145
• Goodness-of-fit parameter for all reflections: 1.099
• Goodness-of-fit parameter for significantly intense reflections: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No