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Information card for entry 2022854
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| Coordinates | 2022854.cif |
|---|---|
| Structure factors | 2022854.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate |
|---|---|
| Formula | C32 H28 F2 N2 O2 |
| Calculated formula | C32 H28 F2 N2 O2 |
| Title of publication | Synthesis, crystal structure, Hirshfeld surface analysis, DFT and NBO study of ethyl 1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate |
| Authors of publication | Bansal, Ravi; Butcher, Ray J.; Gupta, Sushil K. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 10 |
| a | 8.8072 ± 0.0012 Å |
| b | 17.795 ± 0.002 Å |
| c | 16.222 ± 0.002 Å |
| α | 90° |
| β | 91.317 ± 0.009° |
| γ | 90° |
| Cell volume | 2541.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.147 |
| Residual factor for significantly intense reflections | 0.1177 |
| Weighted residual factors for significantly intense reflections | 0.297 |
| Weighted residual factors for all reflections included in the refinement | 0.3238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286283 (current) | 2023-09-09 | cif/ hkl/ Adding structures of 2022854 via cif-deposit CGI script. |
2022854.cif 2022854.hkl |
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