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Information card for entry 2241956
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| Coordinates | 2241956.cif |
|---|---|
| Structure factors | 2241956.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>Z</i>)-[(Dimethylcarbamoyl)(methylsulfanyl)methylidene]amino <i>N</i>-methylcarbamate |
|---|---|
| Formula | C7 H13 N3 O3 S |
| Calculated formula | C7 H13 N3 O3 S |
| SMILES | S(/C(=N\OC(=O)NC)C(=O)N(C)C)C |
| Title of publication | Crystal structure of oxamyl |
| Authors of publication | Kwon, Eunjin; Park, Ki-Min; Park, Hyunjin; Kim, Tae Ho |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1816 - 1818 |
| a | 8.3367 ± 0.0004 Å |
| b | 10.7752 ± 0.0005 Å |
| c | 24.1016 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2165.04 ± 0.18 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.043 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.0898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188577 (current) | 2016-11-19 | cif/ hkl/ Adding structures of 2241956 via cif-deposit CGI script. |
2241956.cif 2241956.hkl |
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