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Information card for entry 2242812
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| Coordinates | 2242812.cif |
|---|---|
| Structure factors | 2242812.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (1<i>E</i>,1'<i>E</i>)-1,1'-(Pyridine-2,6-diyl)bis[<i>N</i>-(4-chlorophenyl)ethan-1-imine] |
|---|---|
| Formula | C21 H17 Cl2 N3 |
| Calculated formula | C21 H17 Cl2 N3 |
| SMILES | c1(ccc(cc1)/N=C(C)/c1cccc(C(=N\c2ccc(cc2)Cl)\C)n1)Cl |
| Title of publication | Crystal structure of a new 2,6-bis(imino)pyridine derivative: (1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)bis[<i>N</i>-(4-chlorophenyl)ethan-1-imine] |
| Authors of publication | Rajesh, Rajagopal; Sella, E. S.; Blacque, Olivier; Rajesh, Kunjanpillai |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 2 |
| Pages of publication | 115 - 118 |
| a | 10.5375 ± 0.0002 Å |
| b | 10.8479 ± 0.0002 Å |
| c | 16.8936 ± 0.0003 Å |
| α | 82.261 ± 0.002° |
| β | 88.543 ± 0.001° |
| γ | 84.93 ± 0.002° |
| Cell volume | 1905.85 ± 0.06 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0457 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.1068 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213109 (current) | 2019-01-16 | cif/ hkl/ Adding structures of 2242812 via cif-deposit CGI script. |
2242812.cif 2242812.hkl |
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Users of the data should acknowledge the original authors of the
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