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Information card for entry 1520190
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| Coordinates | 1520190.cif |
|---|
| Chemical name | N-[3-(trifluoromethyl)phenyl]acetamide |
|---|---|
| Formula | C9 H8 F3 N O |
| Calculated formula | C9 H8 F3 N O |
| SMILES | FC(F)(F)c1cc(NC(=O)C)ccc1 |
| Title of publication | N-[3-(trifluoromethyl)phenyl]acetamide |
| Authors of publication | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2008 |
| Pages of publication | 1372 |
| a | 5.1717 ± 0.0008 Å |
| b | 9.7527 ± 0.0013 Å |
| c | 17.811 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 898.4 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.1571 |
| Residual factor for significantly intense reflections | 0.0823 |
| Weighted residual factors for significantly intense reflections | 0.1398 |
| Weighted residual factors for all reflections included in the refinement | 0.17 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 137649 (current) | 2015-06-02 | cif/ Adding structures of 1520190 via cif-deposit CGI script. |
1520190.cif |
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