Information card for entry 7249196
| Formula |
C18 H11 Cl N2 O |
| Calculated formula |
C18 H11 Cl 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 |
14.4943 ± 0.0009 Å |
| b |
17.848 ± 0.0009 Å |
| c |
18.7119 ± 0.0008 Å |
| α |
106.539 ± 0.004° |
| β |
90.018 ± 0.005° |
| γ |
105.413 ± 0.005° |
| Cell volume |
4458.4 ± 0.4 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 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 |
0.1017 |
| Residual factor for significantly intense reflections |
0.0758 |
| Weighted residual factors for significantly intense reflections |
0.2062 |
| Weighted residual factors for all reflections included in the refinement |
0.2367 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.024 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7249196.html
