Information card for entry 2022805

Structure parameters

• Chemical name: 1-(4-Methoxyphenyl)-1<i>H</i>-imidazole
• Formula: C10 H10 N2 O
• Calculated formula: C10 H10 N2 O
• Title of publication: Crystallographic and spectroscopic characterization of two 1-phenyl-1H-imidazoles: 4-(1H-imidazol-1-yl)benzaldehyde and 1-(4-methoxyphenyl)-1H-imidazole
• Authors of publication: McClements, Isobelle F.; Wiesler, Clara R.; Tanski, Joseph M.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 7
• Pages of publication: 678 - 681
• a: 8.5663 ± 0.0012 Å
• b: 11.2143 ± 0.0016 Å
• c: 9.1635 ± 0.0013 Å
• α: 90°
• β: 94.448 ± 0.002°
• γ: 90°
• Cell volume: 877.6 ± 0.2 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0459
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes