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Information card for entry 8105792
Preview
| Coordinates | 8105792.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H12 N4 O3 |
|---|---|
| Calculated formula | C13 H12 N4 O3 |
| SMILES | N(=O)(=O)c1ccccc1N/N=N/c1ccc(OC)cc1 |
| Title of publication | The crystal structure of (E)-1-(4-methoxyphenyl)-3-(2-nitrophenyl)triaz-1-ene C8H8N2O4 |
| Authors of publication | Gao, Dong-Mei; Liu, Lu; Tang, Meng; He, Chunting; Du, Zhen-Ting |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 4 |
| Pages of publication | 597 - 598 |
| a | 27.748 ± 0.005 Å |
| b | 5.6488 ± 0.001 Å |
| c | 16.437 ± 0.003 Å |
| α | 90° |
| β | 93.393 ± 0.003° |
| γ | 90° |
| Cell volume | 2571.9 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0394 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0902 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277992 (current) | 2022-09-20 | cif/ Adding structures of 8105792 via cif-deposit CGI script. |
8105792.cif |
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Users of the data should acknowledge the original authors of the
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