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Information card for entry 8106889
Preview
| Coordinates | 8106889.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-(4-(2-chloroethoxy)phenyl)ethanone |
|---|---|
| Formula | C10 H11 Cl O2 |
| Calculated formula | C10 H11 Cl O2 |
| SMILES | CC(=O)c1ccc(cc1)OCCCl |
| Title of publication | The crystal structure of 1-(4-(2-chloroethoxy)phenyl)ethanone |
| Authors of publication | Li, Meng; Bai, XueFeng; Hou, YanJun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 407 - 408 |
| a | 7.8485 ± 0.0008 Å |
| b | 8.042 ± 0.0008 Å |
| c | 8.8701 ± 0.0009 Å |
| α | 107.434 ± 0.001° |
| β | 106.307 ± 0.001° |
| γ | 101.971 ± 0.001° |
| Cell volume | 485.98 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0571 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1351 |
| Weighted residual factors for all reflections included in the refinement | 0.1405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281746 (current) | 2023-03-08 | cif/ Adding structures of 8106889 via cif-deposit CGI script. |
8106889.cif |
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Users of the data should acknowledge the original authors of the
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