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Information card for entry 2241179
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| Coordinates | 2241179.cif |
|---|---|
| Structure factors | 2241179.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (4-Hydroxypiperidin-1-yl)(4-methylphenyl)methanone |
|---|---|
| Formula | C13 H17 N O2 |
| Calculated formula | C13 H17 N O2 |
| SMILES | OC1CCN(C(=O)c2ccc(cc2)C)CC1 |
| Title of publication | Crystal structure of (4-hydroxypiperidin-1-yl)(4-methylphenyl)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 | 11 |
| Pages of publication | o817 - o818 |
| a | 23.933 ± 0.005 Å |
| b | 6.3317 ± 0.0012 Å |
| c | 8.0269 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1216.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0997 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.1859 |
| Weighted residual factors for all reflections included in the refinement | 0.2079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2241179.cif 2241179.hkl |
| 159561 | 2015-10-03 | cif/ hkl/ Adding structures of 2241179 via cif-deposit CGI script. |
2241179.cif 2241179.hkl |
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Users of the data should acknowledge the original authors of the
structural data.