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