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Information card for entry 2312157
Preview
| Coordinates | 2312157.cif |
|---|---|
| Structure factors | 2312157.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-2-{[(4-Methoxynaphthalen-1-yl)methylidene]amino}-4-methylphenol |
|---|---|
| Formula | C19 H17 N O2 |
| Calculated formula | C19 H17 N O2 |
| Title of publication | The synthesis and crystal structure of (E)-2-{[(4-methoxynaphthalen-1-yl)methylidene]amino}-4-methylphenol: Hirshfeld surface analysis, DFT calculations and anticorrosion studies. |
| Authors of publication | Yahiaoui, Ahmed Abderrahim; Ghichi, Nadir; Hannachi, Douniazed; Mezhoud, Bilel; Djedouani, Amel; Kraim, Khairedine; Crochet, Aurélien; Stoeckli-Evans, Helen |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 8 |
| a | 7.774 ± 0.0004 Å |
| b | 7.9955 ± 0.0004 Å |
| c | 12.4836 ± 0.0006 Å |
| α | 106.383 ± 0.004° |
| β | 98.191 ± 0.004° |
| γ | 93.279 ± 0.004° |
| Cell volume | 732.96 ± 0.07 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 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 | 0.0422 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.1125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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 |
|---|---|---|---|
| 285383 (current) | 2023-07-29 | cif/ hkl/ Adding structures of 2312157 via cif-deposit CGI script. |
2312157.cif 2312157.hkl |
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Users of the data should acknowledge the original authors of the
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