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Information card for entry 2241146
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| Coordinates | 2241146.cif |
|---|---|
| Structure factors | 2241146.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | [4-(Chloromethyl)phenyl](4-hydroxypiperidin-1-yl)methanone |
|---|---|
| Formula | C13 H16 Cl N O2 |
| Calculated formula | C13 H16 Cl N O2 |
| Title of publication | Crystal structure of [4-(chloromethyl)phenyl](4-hydroxypiperidin-1-yl)methanone |
| Authors of publication | Revathi, B. K.; Reuben Jonathan, D.; Kalai Sevi, K.; Dhanalakshmi, K.; Usha, G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | o703 - o704 |
| a | 8.4131 ± 0.0003 Å |
| b | 9.6211 ± 0.0004 Å |
| c | 15.678 ± 0.0006 Å |
| α | 80.917 ± 0.003° |
| β | 89.24 ± 0.002° |
| γ | 88.395 ± 0.002° |
| Cell volume | 1252.57 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0638 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.1275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181912 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11. |
2241146.cif 2241146.hkl |
| 158395 | 2015-09-26 | cif/ hkl/ Adding structures of 2241146 via cif-deposit CGI script. |
2241146.cif 2241146.hkl |
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Users of the data should acknowledge the original authors of the
structural data.