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Information card for entry 8106252
Preview
| Coordinates | 8106252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H10 I2 N2 O4 |
|---|---|
| Calculated formula | C14 H10 I2 N2 O4 |
| SMILES | Ic1cc(/C=N/c2ccc(OC)cc2N(=O)=O)c(O)c(I)c1 |
| Title of publication | Crystal structure of (E)-4,6-diiodo-2-(((4-methoxy-2-nitrophenyl)imino)methyl)-3-methylphenol, C14H10I2N2O4 |
| Authors of publication | Hong, Yong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 665 - 666 |
| a | 9.2216 ± 0.0004 Å |
| b | 9.7072 ± 0.0005 Å |
| c | 10.0628 ± 0.0005 Å |
| α | 61.778 ± 0.002° |
| β | 77.716 ± 0.002° |
| γ | 79.144 ± 0.002° |
| Cell volume | 771.49 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0212 |
| Residual factor for significantly intense reflections | 0.0184 |
| Weighted residual factors for significantly intense reflections | 0.0524 |
| Weighted residual factors for all reflections included in the refinement | 0.0542 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279558 (current) | 2022-11-25 | cif/ Adding structures of 8106252 via cif-deposit CGI script. |
8106252.cif |
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Users of the data should acknowledge the original authors of the
structural data.