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Information card for entry 2022804
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| Coordinates | 2022804.cif |
|---|---|
| Structure factors | 2022804.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284741 (current) | 2023-07-01 | cif/ hkl/ Adding structures of 2022804, 2022805 via cif-deposit CGI script. |
2022804.cif 2022804.hkl |
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Users of the data should acknowledge the original authors of the
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