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Information card for entry 2022872
Preview
| Coordinates | 2022872.cif |
|---|---|
| Structure factors | 2022872.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[(4-Acetylphenyl)carbamoyl]phenyl acetate |
|---|---|
| Formula | C17 H15 N O4 |
| Calculated formula | C17 H15 N O4 |
| SMILES | CC(=O)c1ccc(cc1)NC(=O)c1c(cccc1)OC(=O)C |
| Title of publication | Synthesis, crystal structure and <i>in vitro</i> anti-proliferative activity of 2-[(4-acetyl-phen-yl)carbamo-yl]phenyl acetate. |
| Authors of publication | Mohamed-Ezzat, Reham A; Kariuki, Benson M.; Srour, Aladdin M. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 11 |
| Pages of publication | 999 - 1002 |
| a | 11.6286 ± 0.0005 Å |
| b | 8.6913 ± 0.0004 Å |
| c | 15.818 ± 0.0007 Å |
| α | 90° |
| β | 110.38 ± 0.005° |
| γ | 90° |
| Cell volume | 1498.62 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0509 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1229 |
| Weighted residual factors for all reflections included in the refinement | 0.1337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288147 (current) | 2023-12-07 | cif/ Updating files of 2022872 Original log message: Adding full bibliography for 2022872.cif. |
2022872.cif 2022872.hkl |
| 286820 | 2023-10-06 | cif/ hkl/ Adding structures of 2022872 via cif-deposit CGI script. |
2022872.cif 2022872.hkl |
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Users of the data should acknowledge the original authors of the
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