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Information card for entry 1558922
Preview
| Coordinates | 1558922.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-thiadiazine |
|---|---|
| Formula | C13 H17 N3 S |
| Calculated formula | C13 H17 N3 S |
| SMILES | S1C(C(=NN=C1NC(C)C)c1ccccc1)C |
| Title of publication | The Crystal Structures of 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-thiadiazine and 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-selenadiazine |
| Authors of publication | Szulzewsky, Klaus; Pfeiffer, Wolf-Diethard; Bulka, Ehrenfried; Rossberg, Harald; Schulz, Burghard |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1993 |
| Journal volume | 47 |
| Pages of publication | 302 - 306 |
| a | 15.019 ± 0.003 Å |
| b | 9.918 ± 0.003 Å |
| c | 9.341 ± 0.002 Å |
| α | 90° |
| β | 109.85 ± 0.03° |
| γ | 90° |
| Cell volume | 1308.7 ± 0.6 Å3 |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.077 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255690 (current) | 2020-08-27 | cif/ Adding structures of 1558922 via cif-deposit CGI script. |
1558922.cif |
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Users of the data should acknowledge the original authors of the
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