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Information card for entry 2022859
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| Coordinates | 2022859.cif |
|---|---|
| Structure factors | 2022859.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-(4-Fluorophenyl)-2-formyl-7-methylimidazo[1,2-<i>a</i>]pyridin-1-ium chloride monohydrate |
|---|---|
| Formula | C15 H14 Cl F N2 O2 |
| Calculated formula | C15 H14 Cl F N2 O2 |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluorophenyl)-2-formyl-7-methylimidazo[1,2-a]pyridin-1-ium chloride monohydrate |
| Authors of publication | Guseinov, Firudin I.; Ovsyannikov, Viacheslav O.; Sokolovskiy, Pavel V.; Sebyakin, Yurii L.; Samigullina, Aida I.; Akkurt, Mehmet; Çelikesir, Sevim Türktekin; Bhattarai, Ajaya |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 10 |
| a | 7.45681 ± 0.00013 Å |
| b | 8.41737 ± 0.0001 Å |
| c | 12.8928 ± 0.0002 Å |
| α | 74.0382 ± 0.0012° |
| β | 73.7634 ± 0.0014° |
| γ | 72.7034 ± 0.0013° |
| Cell volume | 725.4 ± 0.02 Å3 |
| Cell temperature | 100 ± 0.3 K |
| Ambient diffraction temperature | 100 ± 0.3 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0338 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.0858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286318 (current) | 2023-09-13 | cif/ hkl/ Adding structures of 2022859 via cif-deposit CGI script. |
2022859.cif 2022859.hkl |
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Users of the data should acknowledge the original authors of the
structural data.