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Information card for entry 2240291
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| Coordinates | 2240291.cif |
|---|---|
| Structure factors | 2240291.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 4-Chloro-<i>N</i>-[2-(piperidin-1-yl)ethyl]benzamide monohydrate |
|---|---|
| Formula | C14 H21 Cl N2 O2 |
| Calculated formula | C14 H21 Cl N2 O2 |
| SMILES | O.C1CCCCN1CCNC(=O)c1ccc(cc1)Cl |
| Title of publication | Crystal structure of 4-chloro-<i>N</i>-[2-(piperidin-1-yl)ethyl]benzamide monohydrate |
| Authors of publication | Prathebha, K.; Reuben Jonathan, D.; Revathi, B. K; Sathya, S.; Usha, G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | o39 - o40 |
| a | 14.9115 ± 0.0006 Å |
| b | 6.6899 ± 0.0003 Å |
| c | 15.6215 ± 0.0007 Å |
| α | 90° |
| β | 102.956 ± 0.002° |
| γ | 90° |
| Cell volume | 1518.67 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1088 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1268 |
| Weighted residual factors for all reflections included in the refinement | 0.1604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181902 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240291.cif 2240291.hkl |
| 181322 | 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 2/24/02. |
2240291.cif 2240291.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. |
2240291.cif 2240291.hkl |
| 128721 | 2014-12-14 | cif/ hkl/ Adding structures of 2240291 via cif-deposit CGI script. |
2240291.cif 2240291.hkl |
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Users of the data should acknowledge the original authors of the
structural data.