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Information card for entry 2022809
Preview
| Coordinates | 2022809.cif |
|---|---|
| Structure factors | 2022809.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>-Dimethylacetamide–1-(dimethyl-λ^4^-azanylidene)ethan-1-ol tribromide (1/1) |
|---|---|
| Formula | C8 H19 Br3 N2 O2 |
| Calculated formula | C8 H19 Br3 N2 O2 |
| Title of publication | Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dichloridoiodate (1/1) |
| Authors of publication | Mammadova, Gunay Z.; Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Grigoriev, Mikhail S.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 8 |
| a | 7.9009 ± 0.0004 Å |
| b | 10.3466 ± 0.0006 Å |
| c | 9.4948 ± 0.0005 Å |
| α | 90° |
| β | 107.703 ± 0.002° |
| γ | 90° |
| Cell volume | 739.42 ± 0.07 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 | 0.0429 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0511 |
| Weighted residual factors for all reflections included in the refinement | 0.0555 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284814 (current) | 2023-07-05 | cif/ hkl/ Adding structures of 2022809, 2022810, 2022811 via cif-deposit CGI script. |
2022809.cif 2022809.hkl |
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Users of the data should acknowledge the original authors of the
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