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Information card for entry 2022774
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| Coordinates | 2022774.cif |
|---|---|
| Structure factors | 2022774.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Oxo-7-phenyl-2-(phenylamino)-1<i>H</i>-[1,2,4]triazolo[1,5-<i>a</i>]pyridine-6,8-dicarbonitrile dimethyl sulfoxide monosolvate |
|---|---|
| Formula | C22 H18 N6 O2 S |
| Calculated formula | C22 H18 N6 O2 S |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 5-oxo-7-phenyl-2-(phenyl-amino)-1<i>H</i>-[1,2,4]triazolo[1,5-<i>a</i>]pyridine-6,8-dicarbo-nitrile dimethyl sulfoxide monosolvate. |
| Authors of publication | Naghiyev, Farid N.; Khrustalev, Victor N.; Mamedov, Huseyn M.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 6 |
| Pages of publication | 567 - 570 |
| a | 9.87885 ± 0.00012 Å |
| b | 10.46018 ± 0.00013 Å |
| c | 11.48307 ± 0.00012 Å |
| α | 100.93 ± 0.001° |
| β | 105.305 ± 0.0011° |
| γ | 112.679 ± 0.0012° |
| Cell volume | 997.81 ± 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 | 0.0393 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285057 (current) | 2023-07-06 | cif/ Updating files of 2022774 Original log message: Adding full bibliography for 2022774.cif. |
2022774.cif 2022774.hkl |
| 284039 | 2023-05-27 | cif/ hkl/ Adding structures of 2022774 via cif-deposit CGI script. |
2022774.cif 2022774.hkl |
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