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Information card for entry 2240325
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| Coordinates | 2240325.cif |
|---|---|
| Structure factors | 2240325.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2,2-Dichloro-1-(piperidin-1-yl)ethanone |
|---|---|
| Formula | C7 H11 Cl2 N O |
| Calculated formula | C7 H11 Cl2 N O |
| SMILES | ClC(Cl)C(=O)N1CCCCC1 |
| Title of publication | Crystal structure of 2,2-dichloro-1-(piperidin-1-yl)ethanone |
| Authors of publication | Schwierz, Markus; Görls, Helmar; Imhof, Wolfgang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | o47 |
| a | 6.2972 ± 0.0001 Å |
| b | 15.4896 ± 0.0002 Å |
| c | 9.3709 ± 0.0002 Å |
| α | 90° |
| β | 108.92 ± 0.001° |
| γ | 90° |
| Cell volume | 864.66 ± 0.03 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 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 | 0.0212 |
| Residual factor for significantly intense reflections | 0.0202 |
| Weighted residual factors for significantly intense reflections | 0.0507 |
| Weighted residual factors for all reflections included in the refinement | 0.0513 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240325.cif 2240325.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240325.cif 2240325.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240325.cif 2240325.hkl |
| 128875 | 2014-12-21 | cif/ hkl/ Adding structures of 2240325 via cif-deposit CGI script. |
2240325.cif 2240325.hkl |
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Users of the data should acknowledge the original authors of the
structural data.