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Information card for entry 8107383
Preview
| Coordinates | 8107383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H19 N3 O5 |
|---|---|
| Calculated formula | C18 H19 N3 O5 |
| SMILES | C1CN(CCO1)c1ccccc1/[NH+]=C/c1c(c(cc(c1)N(=O)=O)OC)[O-] |
| Title of publication | Crystal structure of 2-methoxy-6-[(2-morpholin-4-yl-phenylamino)-methylene]-4-nitro-cyclohexa-2,4-dienone, C18H19N3O5 |
| Authors of publication | Zhang, Shi-Qi; Li, Ming; Zong, Hai-Tao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 165 - 166 |
| a | 15.5675 ± 0.0012 Å |
| b | 17.0299 ± 0.0013 Å |
| c | 6.2644 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1660.8 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.0815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284489 (current) | 2023-06-16 | cif/ Adding structures of 8107383 via cif-deposit CGI script. |
8107383.cif |
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Users of the data should acknowledge the original authors of the
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