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Information card for entry 8104792
Preview
| Coordinates | 8104792.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 N2 O3 |
|---|---|
| Calculated formula | C19 H18 N2 O3 |
| SMILES | C(c1c(ccc2c1cccc2)O)(c1cc(ccc1)N(=O)=O)N(C)C |
| Title of publication | The crystal structure of 1-((dimethylamino)(3-nitrophenyl)methyl)naphthalen-2-ol, C19H18N2O3 |
| Authors of publication | Zhu, Chao; Wang, Wenxiang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 3 |
| Pages of publication | 653 - 655 |
| a | 9.5079 ± 0.0019 Å |
| b | 18.423 ± 0.004 Å |
| c | 19.018 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3331.3 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1009 |
| Residual factor for significantly intense reflections | 0.0555 |
| Weighted residual factors for significantly intense reflections | 0.1096 |
| Weighted residual factors for all reflections included in the refinement | 0.1275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273792 (current) | 2022-03-18 | cif/ Adding structures of 8104792 via cif-deposit CGI script. |
8104792.cif |
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Users of the data should acknowledge the original authors of the
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