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Information card for entry 8105017
Preview
| Coordinates | 8105017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H9 Cl N2 O3 |
|---|---|
| Calculated formula | C13 H9 Cl N2 O3 |
| SMILES | c1(ccc(cc1)N(=O)=O)/N=C/c1c(cccc1Cl)O |
| Title of publication | Crystal structure of (E)-3-chloro-2-(((4-nitrophenyl)imino)methyl)phenol, C13H9ClN2O3 |
| Authors of publication | Song, Wei; Yang, Yanju; Li, Jin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 235 |
| Journal issue | 1 |
| Pages of publication | 61 - 62 |
| a | 7.401 ± 0.003 Å |
| b | 12.005 ± 0.005 Å |
| c | 13.808 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1226.8 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1071 |
| Residual factor for significantly intense reflections | 0.0673 |
| Weighted residual factors for significantly intense reflections | 0.1375 |
| Weighted residual factors for all reflections included in the refinement | 0.1473 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274319 (current) | 2022-04-04 | cif/ Adding structures of 8105017 via cif-deposit CGI script. |
8105017.cif |
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Users of the data should acknowledge the original authors of the
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