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Information card for entry 2311432
Preview
| Coordinates | 2311432.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 4-Methoxy-<i>N</i>-(piperidine-1-carbonothioyl)benzamide |
|---|---|
| Formula | C14 H18 N2 O2 S |
| Calculated formula | C14 H18 N2 O2 S |
| SMILES | S=C(NC(=O)c1ccc(OC)cc1)N1CCCCC1 |
| Title of publication | Crystal structure of 4-meth-oxy-<i>N</i>-(piperidine-1-carbono-thio-yl)benzamide. |
| Authors of publication | Suhud, Khairi; Hasbullah, Siti Aishah; Ahmad, Musa; Heng, Lee Yook; Kassim, Mohammad B. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 10 |
| Pages of publication | 1530 - 1533 |
| a | 8.2228 ± 0.0009 Å |
| b | 18.1289 ± 0.0019 Å |
| c | 9.945 ± 0.001 Å |
| α | 90° |
| β | 106.612 ± 0.003° |
| γ | 90° |
| Cell volume | 1420.6 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1009 |
| Residual factor for significantly intense reflections | 0.0813 |
| Weighted residual factors for significantly intense reflections | 0.2239 |
| Weighted residual factors for all reflections included in the refinement | 0.2507 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311432.cif |
| 245880 | 2019-12-25 | cif/ Adding structures of 2311432 via cif-deposit CGI script. |
2311432.cif |
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Users of the data should acknowledge the original authors of the
structural data.