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Information card for entry 2241811
Preview
| Coordinates | 2241811.cif |
|---|---|
| Structure factors | 2241811.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Dimethylformamidium bis(trifluoromethanesulfonyl)amide |
|---|---|
| Formula | C5 H8 F6 N2 O5 S2 |
| Calculated formula | C5 H8 F6 N2 O5 S2 |
| SMILES | S(=O)([O-])(=NS(=O)(=O)C(F)(F)F)C(F)(F)F.C[N+](C)=CO |
| Title of publication | Crystal structure of dimethylformamidium bis(trifluoromethanesulfonyl)amide: an ionic liquid |
| Authors of publication | Cardenas, Allan Jay P.; O'Hagan, Molly |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 9 |
| Pages of publication | 1290 - 1292 |
| a | 9.0254 ± 0.0009 Å |
| b | 11.4601 ± 0.0012 Å |
| c | 12.3621 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1278.6 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| 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 | 0.028 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.0645 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241811.cif 2241811.hkl |
| 185785 | 2016-08-13 | cif/ hkl/ Adding structures of 2241811 via cif-deposit CGI script. |
2241811.cif 2241811.hkl |
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Users of the data should acknowledge the original authors of the
structural data.