Information card for entry 7249194
| Formula |
C19 H14 N2 O |
| Calculated formula |
C19 H14 N2 O |
| Title of publication |
Crystal structure, spectroscopy, DFT, and thermal studies of 3-cyano-2(1H)-pyridones as potential anticancer agents |
| Authors of publication |
Hurtado-Rodríguez, Diana; Becerra, Diana; Rojas, Hugo; Gómez Castaño, Jovanny A.; Macías, Mario A.; Castillo, Juan-Carlos |
| Journal of publication |
RSC Advances |
| Year of publication |
2024 |
| Journal volume |
14 |
| Journal issue |
34 |
| Pages of publication |
24928 - 24941 |
| a |
14.9621 ± 0.0017 Å |
| b |
17.7063 ± 0.0018 Å |
| c |
18.5333 ± 0.0012 Å |
| α |
75.538 ± 0.008° |
| β |
89.907 ± 0.008° |
| γ |
73.826 ± 0.01° |
| Cell volume |
4554 ± 0.8 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1519 |
| Residual factor for significantly intense reflections |
0.087 |
| Weighted residual factors for significantly intense reflections |
0.2297 |
| Weighted residual factors for all reflections included in the refinement |
0.3109 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.999 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7249194.html
