Information card for entry 2022804

Structure parameters

• Chemical name: 4-(1<i>H</i>-Imidazol-1-yl)benzaldehyde
• Formula: C10 H8 N2 O
• Calculated formula: C10 H8 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: 3.7749 ± 0.0002 Å
• b: 7.3711 ± 0.0005 Å
• c: 14.4524 ± 0.0009 Å
• α: 90°
• β: 91.096 ± 0.002°
• γ: 90°
• Cell volume: 402.07 ± 0.04 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes