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Information card for entry 2243978
Preview
| Coordinates | 2243978.cif |
|---|---|
| Structure factors | 2243978.hkl |
| Original IUCr paper | HTML |
| Chemical name | 9-Aminoacridinium chloride <i>N</i>,<i>N</i>-dimethylformamide monosolvate |
|---|---|
| Formula | C16 H18 Cl N3 O |
| Calculated formula | C16 H18 Cl N3 O |
| SMILES | [Cl-].[nH+]1c2c(c(N)c3c1cccc3)cccc2.N(C=O)(C)C |
| Title of publication | Crystal structure of 9-aminoacridinium chloride <i>N</i>,<i>N</i>-dimethylformamide monosolvate |
| Authors of publication | Fritsky, Igor O.; Sirenko, Valerii Y.; Shova, Sergiu; Kucheriv, Olesia I.; Gural'skiy, Il'ya A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 12 |
| Pages of publication | 1303 - 1306 |
| a | 10.5819 ± 0.0007 Å |
| b | 42.705 ± 0.002 Å |
| c | 7.2531 ± 0.0006 Å |
| α | 90° |
| β | 108.8 ± 0.008° |
| γ | 90° |
| Cell volume | 3102.8 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1353 |
| Residual factor for significantly intense reflections | 0.0845 |
| Weighted residual factors for significantly intense reflections | 0.1729 |
| Weighted residual factors for all reflections included in the refinement | 0.1991 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271899 (current) | 2022-01-07 | cif/ hkl/ Adding structures of 2243978 via cif-deposit CGI script. |
2243978.cif 2243978.hkl |
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Users of the data should acknowledge the original authors of the
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