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Information card for entry 8106340
Preview
| Coordinates | 8106340.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro-3-nitrophenyl)diazene oxide |
|---|---|
| Formula | C12 H5 Cl2 N5 O7 |
| Calculated formula | C12 H5 Cl2 N5 O7 |
| SMILES | c1(c(cc(cc1)N(=Nc1c(cc(cc1N(=O)=O)Cl)N(=O)=O)=O)N(=O)=O)Cl |
| Title of publication | Crystal structure of 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro-3-nitrophenyl)diazene 1-oxide, C12H5Cl2N5O7 |
| Authors of publication | Junyan, Cao; Jianlong, Wang; Lizhen, Chen; Luyao, Zhang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 5 |
| Pages of publication | 905 - 906 |
| a | 8.2425 ± 0.0008 Å |
| b | 8.2814 ± 0.0007 Å |
| c | 12.4713 ± 0.0012 Å |
| α | 93.37 ± 0.004° |
| β | 101.59 ± 0.004° |
| γ | 118.222 ± 0.003° |
| Cell volume | 723.03 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.1078 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279732 (current) | 2022-12-06 | cif/ Adding structures of 8106340 via cif-deposit CGI script. |
8106340.cif |
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Users of the data should acknowledge the original authors of the
structural data.