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Information card for entry 2020385
Preview
| Coordinates | 2020385.cif |
|---|---|
| Structure factors | 2020385.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>-(4-Acetylphenyl)-2-chloroacetamide |
|---|---|
| Formula | C10 H10 Cl N O2 |
| Calculated formula | C10 H10 Cl N O2 |
| SMILES | O=C(C)c1ccc(cc1)NC(=O)CCl |
| Title of publication | Synthesis and crystal structures of the potential tyrosinase inhibitors <i>N</i>-(4-acetylphenyl)-2-chloroacetamide and 2-(4-acetylanilino)-2-oxoethyl cinnamate |
| Authors of publication | Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 2 |
| Pages of publication | 94 - 98 |
| a | 4.1713 ± 0.0001 Å |
| b | 14.7792 ± 0.0004 Å |
| c | 16.1755 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 997.19 ± 0.04 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0457 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020385.cif 2020385.hkl |
| 181873 | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/03 |
2020385.cif 2020385.hkl |
| 177472 | 2016-03-04 | cif/ Updating files of 2020385, 2020386 Original log message: Adding full bibliography for 2020385--2020386.cif. |
2020385.cif 2020385.hkl |
| 174432 | 2016-01-14 | cif/ hkl/ Adding structures of 2020385, 2020386 via cif-deposit CGI script. |
2020385.cif 2020385.hkl |
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Users of the data should acknowledge the original authors of the
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