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Information card for entry 2312064
Preview
| Coordinates | 2312064.cif |
|---|---|
| Structure factors | 2312064.hkl |
| Original IUCr paper | HTML |
| Common name | 5-[1-Benzyl-6-fluoro-7-(piperidin-1-yl)-quinolin-4(1<i>H</i>)-on-3-yl]-3-(4-methylcyclohex-1-yl)-1,2,4-oxadiazole |
|---|---|
| Chemical name | 7-(piperidin-1-yl)quinolin-4-one |
| Formula | C33 H41 F N4 O3 |
| Calculated formula | C33 H41 F N4 O3 |
| Title of publication | Synthesis, analysis of mol-ecular and crystal structures, estimation of inter-molecular inter-actions and biological properties of 1-benzyl-6-fluoro-3-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-7-(piperidin-1-yl)quinolin-4-one. |
| Authors of publication | Vaksler, Yevhenii; Hryhoriv, Halyna V.; Ivanov, Vladimir V.; Kovalenko, Sergiy M.; Georgiyants, Victoriya A.; Langer, Thierry |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 3 |
| Pages of publication | 192 - 200 |
| a | 9.9499 ± 0.0006 Å |
| b | 11.2976 ± 0.0009 Å |
| c | 14.9913 ± 0.0012 Å |
| α | 68.65 ± 0.008° |
| β | 89.473 ± 0.006° |
| γ | 78.976 ± 0.006° |
| Cell volume | 1537.2 ± 0.2 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1435 |
| Residual factor for significantly intense reflections | 0.0661 |
| Weighted residual factors for significantly intense reflections | 0.1586 |
| Weighted residual factors for all reflections included in the refinement | 0.1892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282423 (current) | 2023-04-05 | cif/ hkl/ Adding structures of 2312064 via cif-deposit CGI script. |
2312064.cif 2312064.hkl |
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