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Information card for entry 8107309
Preview
| Coordinates | 8107309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H9 Cl N2 O4 |
|---|---|
| Calculated formula | C13 H9 Cl N2 O4 |
| SMILES | Clc1cc(c(cc1)O)N/C=C1\C(=O)C=CC(=C1)N(=O)=O |
| Title of publication | The crystal structure of (Z)-6-(((5-chloro-2-hydroxyphenyl)amino)methylene)- 4-nitrocyclohexa, C13H9ClN2O4 |
| Authors of publication | Zhang, Zhijian; Xiao, Xiyuan; Jiang, Wujiu; Feng, Hao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 6 |
| Pages of publication | 1119 - 1120 |
| a | 11.1882 ± 0.0011 Å |
| b | 8.0672 ± 0.0008 Å |
| c | 14.0813 ± 0.0015 Å |
| α | 90° |
| β | 94.084 ± 0.002° |
| γ | 90° |
| Cell volume | 1267.7 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0737 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.1104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284401 (current) | 2023-06-08 | cif/ Adding structures of 8107309 via cif-deposit CGI script. |
8107309.cif |
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Users of the data should acknowledge the original authors of the
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