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Information card for entry 2241710
Preview
| Coordinates | 2241710.cif |
|---|---|
| Structure factors | 2241710.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2-(4-Acetylanilino)-2-oxoethyl 3-(4-hydroxyphenyl)propionate |
|---|---|
| Formula | C19 H19 N O5 |
| Calculated formula | C19 H19 N O5 |
| Title of publication | Crystal structure of 2-(4-acetylanilino)-2-oxoethyl 3-(4-hydroxyphenyl)propionate |
| Authors of publication | Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 7 |
| Pages of publication | 933 - 936 |
| a | 5.51 ± 0.003 Å |
| b | 14.809 ± 0.009 Å |
| c | 10.824 ± 0.007 Å |
| α | 90° |
| β | 100.757 ± 0.007° |
| γ | 90° |
| Cell volume | 867.7 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1278 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241710.cif 2241710.hkl |
| 183349 | 2016-06-11 | cif/ hkl/ Adding structures of 2241710 via cif-deposit CGI script. |
2241710.cif 2241710.hkl |
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Users of the data should acknowledge the original authors of the
structural data.