Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312564
Preview
| Coordinates | 2312564.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(1-Hydroxyethylidene)anilinium chloride–<i>N</i>-phenylacetamide (1/1) |
|---|---|
| Formula | C16 H19 Cl N2 O2 |
| Calculated formula | C16 H19 Cl N2 O2 |
| Title of publication | Salt forms of amides: protonation of acetanilide. |
| Authors of publication | Jaconelli, Harry S.; Kennedy, Alan R. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 9 |
| a | 7.7936 ± 0.0001 Å |
| b | 18.3639 ± 0.0002 Å |
| c | 16.3922 ± 0.0001 Å |
| α | 90° |
| β | 102.245 ± 0.001° |
| γ | 90° |
| Cell volume | 2292.69 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0332 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.0882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294065 (current) | 2024-08-09 | cif/ Adding structures of 2312564, 2312565, 2312566, 2312567, 2312568 via cif-deposit CGI script. |
2312564.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.