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Information card for entry 8107721
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| Coordinates | 8107721.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | alpha-(4-(hydroxyimino)-2,5-dichloro-2,5-cyclohexadien- 1-ylidene)-benzeneacetonitrile |
|---|---|
| Formula | C14 H8 Cl2 N2 O |
| Calculated formula | C14 H8 Cl2 N2 O |
| SMILES | ClC\1=C\C(=C(/c2ccccc2)C#N)C(=CC1=N\O)Cl |
| Title of publication | Crystal structure of α-(4-(hydroxyimino)-2,5-dichloro-2,5-cyclohexadien- 1-ylidene)-benzeneacetonitrile, C14H8Cl2N2O |
| Authors of publication | Hong, Zhi; Chen, Guang; Jiang, Hua-Jiang; Chen, Ren-Er; Su, Wei-Ke |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2015 |
| Journal volume | 230 |
| Journal issue | 2 |
| Pages of publication | 71 - 72 |
| a | 18.692 ± 0.004 Å |
| b | 5.8557 ± 0.0013 Å |
| c | 12.575 ± 0.003 Å |
| α | 90° |
| β | 106.875 ± 0.003° |
| γ | 90° |
| Cell volume | 1317.1 ± 0.5 Å3 |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1127 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288303 (current) | 2023-12-14 | cif/ Adding structures of 8107721 via cif-deposit CGI script. |
8107721.cif |
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Users of the data should acknowledge the original authors of the
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