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Information card for entry 2022925
Preview
| Coordinates | 2022925.cif |
|---|---|
| Structure factors | 2022925.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(Naphthalen-2-yl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile |
|---|---|
| Formula | C22 H14 N2 O |
| Calculated formula | C22 H14 N2 O |
| Title of publication | Crystal structure of 4-(naphthalen-2-yl)-2-oxo-6-phenyl-1,2-di-hydro-pyridine-3-carbo-nitrile. |
| Authors of publication | Bui, Thai Thanh Thu; Mac, Dinh Hung; Quang Trung, Pham; Pham, Chien Thang |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 11 |
| Pages of publication | 1076 - 1078 |
| a | 7.0845 ± 0.0004 Å |
| b | 10.4369 ± 0.0006 Å |
| c | 21.6298 ± 0.0011 Å |
| α | 90° |
| β | 91.878 ± 0.002° |
| γ | 90° |
| Cell volume | 1598.45 ± 0.15 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0686 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1099 |
| Weighted residual factors for all reflections included in the refinement | 0.1225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288135 (current) | 2023-12-07 | cif/ Updating files of 2022925 Original log message: Adding full bibliography for 2022925.cif. |
2022925.cif 2022925.hkl |
| 287135 | 2023-10-27 | cif/ hkl/ Adding structures of 2022925 via cif-deposit CGI script. |
2022925.cif 2022925.hkl |
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Users of the data should acknowledge the original authors of the
structural data.