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Information card for entry 8107161
Preview
| Coordinates | 8107161.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H6 Cl3 N O |
|---|---|
| Calculated formula | C10 H6 Cl3 N O |
| SMILES | ClC(Cl)C(=O)n1c2cccc(Cl)c2cc1 |
| Title of publication | Crystal structure of 2,2-dichloro-1-(4-chloro-1H-indol-1-yl)ethan-1-one, C10H6Cl3NO |
| Authors of publication | Ma, Zhao-Yu; Lu, Wan; Guo, Yu-Chao; Li, Ying-Jiao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 4 |
| Pages of publication | 593 - 594 |
| a | 9.7097 ± 0.001 Å |
| b | 10.6037 ± 0.0011 Å |
| c | 10.1735 ± 0.001 Å |
| α | 90° |
| β | 96.58 ± 0.004° |
| γ | 90° |
| Cell volume | 1040.55 ± 0.18 Å3 |
| Cell temperature | 101 ± 2 K |
| Ambient diffraction temperature | 101 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 | 0.0233 |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for significantly intense reflections | 0.0563 |
| Weighted residual factors for all reflections included in the refinement | 0.0574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283644 (current) | 2023-05-10 | cif/ Adding structures of 8107161 via cif-deposit CGI script. |
8107161.cif |
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Users of the data should acknowledge the original authors of the
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