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Information card for entry 2240627
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| Coordinates | 2240627.cif |
|---|---|
| Structure factors | 2240627.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 4-Methyl-<i>N</i>-[2-(piperidin-1-yl)ethyl]benzamide monohydrate |
|---|---|
| Formula | C15 H24 N2 O2 |
| Calculated formula | C15 H24 N2 O2 |
| SMILES | C1CCCCN1CCNC(=O)c1ccc(cc1)C.O |
| Title of publication | Crystal structure of 4-methyl-<i>N</i>-[2-(piperidin-1-yl)ethyl]benzamide monohydrate |
| Authors of publication | Revathi, B. K.; Reuben Jonathan, D.; Sathya, S.; Prathebha, K.; Usha, G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o359 - o360 |
| a | 14.8504 ± 0.0017 Å |
| b | 6.8243 ± 0.0006 Å |
| c | 15.007 ± 0.0018 Å |
| α | 90° |
| β | 98.653 ± 0.004° |
| γ | 90° |
| Cell volume | 1503.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1014 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1541 |
| Weighted residual factors for all reflections included in the refinement | 0.2028 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240627.cif 2240627.hkl |
| 136418 | 2015-05-13 | cif/ hkl/ Adding structures of 2240627 via cif-deposit CGI script. |
2240627.cif 2240627.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.