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Information card for entry 2312566
Preview
| Coordinates | 2312566.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(1-Hydroxyethylidene)anilinium triiodide–<i>N</i>-phenylacetamide (1/1) |
|---|---|
| Formula | C16 H19 I3 N2 O2 |
| Calculated formula | C16 H19 I3 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 | 7.3766 ± 0.0002 Å |
| b | 8.8131 ± 0.0003 Å |
| c | 9.3226 ± 0.0002 Å |
| α | 113.612 ± 0.002° |
| β | 103.144 ± 0.002° |
| γ | 104.263 ± 0.003° |
| Cell volume | 500.61 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0381 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.1061 |
| Weighted residual factors for all reflections included in the refinement | 0.1071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| 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. |
2312566.cif |
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Users of the data should acknowledge the original authors of the
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