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Information card for entry 8106958
Preview
| Coordinates | 8106958.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H9 Cl2 N |
|---|---|
| Calculated formula | C13 H9 Cl2 N |
| SMILES | Clc1ccccc1/C=N/c1ccc(Cl)cc1 |
| Title of publication | Crystal structure of (E)-1-(2-chlorophenyl)-N-(4-chlorophenyl)methanimine, C13H9Cl2N |
| Authors of publication | Liang, En-Xiang; He, Bin-Hong; Xu, Yi-Xue; Yi, Jian-Min; Ren, Shao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 627 - 628 |
| a | 3.9518 ± 0.0018 Å |
| b | 10.495 ± 0.005 Å |
| c | 27.875 ± 0.015 Å |
| α | 90° |
| β | 91.224 ± 0.008° |
| γ | 90° |
| Cell volume | 1155.8 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.098 |
| Residual factor for significantly intense reflections | 0.0719 |
| Weighted residual factors for significantly intense reflections | 0.1725 |
| Weighted residual factors for all reflections included in the refinement | 0.1862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282009 (current) | 2023-03-23 | cif/ Adding structures of 8106958 via cif-deposit CGI script. |
8106958.cif |
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Users of the data should acknowledge the original authors of the
structural data.