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Information card for entry 8105005
Preview
| Coordinates | 8105005.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H9 Cl2 N O |
|---|---|
| Calculated formula | C13 H9 Cl2 N O |
| SMILES | c1(ccc(cc1)Cl)/N=C/c1c(cccc1Cl)O |
| Title of publication | Crystal structure of (E)-3-chloro-2-(((4-chlorophenyl)imino)methyl)phenol, C13H9Cl2NO |
| Authors of publication | Song, Wei; Yang, Yanju |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 235 |
| Journal issue | 1 |
| Pages of publication | 29 - 30 |
| a | 21.039 ± 0.006 Å |
| b | 4.0172 ± 0.0012 Å |
| c | 14.561 ± 0.004 Å |
| α | 90° |
| β | 97.849 ± 0.005° |
| γ | 90° |
| Cell volume | 1219.1 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.0509 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.1023 |
| Weighted residual factors for all reflections included in the refinement | 0.1211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274306 (current) | 2022-04-04 | cif/ Adding structures of 8105005 via cif-deposit CGI script. |
8105005.cif |
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Users of the data should acknowledge the original authors of the
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