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Information card for entry 2243898
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| Coordinates | 2243898.cif |
|---|---|
| Structure factors | 2243898.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-2-Amino-4-(2,6-dichlorophenyl)-5-(1-hydroxyethylidene)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
|---|---|
| Formula | C20 H15 Cl2 N3 O2 |
| Calculated formula | C20 H15 Cl2 N3 O2 |
| SMILES | Clc1c(C2C(=C(\O)C)\C(=O)N(C(=C2C#N)N)c2ccccc2)c(Cl)ccc1 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-2-amino-4-(2,6-dichlorophenyl)-5-(1-hydroxyethylidene)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Authors of publication | Naghiyev, Farid N.; Pavlova, Anastasiya V.; Khrustalev, Victor N.; Akkurt, Mehmet; Khalilov, Ali N.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 9 |
| a | 9.662 ± 0.001 Å |
| b | 27.01 ± 0.003 Å |
| c | 7.4782 ± 0.0008 Å |
| α | 90° |
| β | 111.571 ± 0.002° |
| γ | 90° |
| Cell volume | 1814.9 ± 0.3 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1039 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1037 |
| Weighted residual factors for all reflections included in the refinement | 0.1259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268024 (current) | 2021-08-11 | cif/ hkl/ Adding structures of 2243898 via cif-deposit CGI script. |
2243898.cif 2243898.hkl |
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