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Information card for entry 2241998
Preview
| Coordinates | 2241998.cif |
|---|---|
| Structure factors | 2241998.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-nitrophenol |
|---|---|
| Formula | C19 H15 N3 O3 |
| Calculated formula | C19 H15 N3 O3 |
| SMILES | Oc1ccc(N(=O)=O)cc1/C=N/c1ccc(Nc2ccccc2)cc1 |
| Title of publication | Crystal structure of (<i>E</i>)-2-{[(4-anilinophenyl)imino]methyl}-4-nitrophenol |
| Authors of publication | Faizi, Md. Serajul Haque; Haque, Ashanul; Kalibabchuk, Valentina A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 2 |
| Pages of publication | 112 - 114 |
| a | 6.4243 ± 0.0012 Å |
| b | 31.818 ± 0.006 Å |
| c | 7.6595 ± 0.0014 Å |
| α | 90° |
| β | 100.736 ± 0.005° |
| γ | 90° |
| Cell volume | 1538.3 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1747 |
| Residual factor for significantly intense reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.0987 |
| Weighted residual factors for all reflections included in the refinement | 0.1246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241998.cif 2241998.hkl |
| 189995 | 2017-01-07 | cif/ hkl/ Adding structures of 2241998 via cif-deposit CGI script. |
2241998.cif 2241998.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.