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Information card for entry 1520433
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| Coordinates | 1520433.cif |
|---|
| Chemical name | N-(4-acetylphenyl)acetamide |
|---|---|
| Formula | C10 H11 N O2 |
| Calculated formula | C10 H11 N O2 |
| SMILES | O=C(Nc1ccc(cc1)C(=O)C)C |
| Title of publication | N-(4-acetylphenyl)acetamide |
| Authors of publication | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2009 |
| Pages of publication | 1399 |
| a | 7.5138 ± 0.0005 Å |
| b | 9.3146 ± 0.0007 Å |
| c | 12.8999 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 902.84 ± 0.12 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1192 |
| Residual factor for significantly intense reflections | 0.0785 |
| Weighted residual factors for significantly intense reflections | 0.1377 |
| Weighted residual factors for all reflections included in the refinement | 0.1537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 138927 (current) | 2015-06-08 | cif/ Adding structures of 1520433 via cif-deposit CGI script. |
1520433.cif |
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Users of the data should acknowledge the original authors of the
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