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Information card for entry 7248120
Preview
| Coordinates | 7248120.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H28 N2 O2 |
|---|---|
| Calculated formula | C17 H27 N2 O2 |
| Title of publication | Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes |
| Authors of publication | Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 5222 - 5233 |
| a | 15.9867 ± 0.0009 Å |
| b | 5.3642 ± 0.0003 Å |
| c | 21.1924 ± 0.0011 Å |
| α | 90° |
| β | 103.788 ± 0.002° |
| γ | 90° |
| Cell volume | 1765 ± 0.17 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.172 |
| Residual factor for significantly intense reflections | 0.0843 |
| Weighted residual factors for significantly intense reflections | 0.2074 |
| Weighted residual factors for all reflections included in the refinement | 0.2756 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289780 (current) | 2024-02-10 | cif/ Adding structures of 7248120, 7248121, 7248122, 7248123 via cif-deposit CGI script. |
7248120.cif |
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Users of the data should acknowledge the original authors of the
structural data.