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Information card for entry 2008261
Preview
| Coordinates | 2008261.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4-ethyl-2,3-dihydro-4H-pyrido[3,2-e]-1,2,4-thiadiazine 1,1-dioxide |
|---|---|
| Formula | C8 H11 N3 O2 S |
| Calculated formula | C8 H11 N3 O2 S |
| SMILES | S1(=O)(=O)NCN(c2cccnc12)CC |
| Title of publication | 4-Ethyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide and 4-ethyl-2,3-dihydro-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide |
| Authors of publication | Dupont, Léon; Pirotte, Bernard; Podona, Tchao; Diouf, Ousmane; Delarge, Jacques; De Tullio, Pascal |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 3 |
| Pages of publication | 461 - 464 |
| a | 7.7385 ± 0.0012 Å |
| b | 12.199 ± 0.003 Å |
| c | 20.667 ± 0.002 Å |
| α | 90° |
| β | 99.735 ± 0.018° |
| γ | 90° |
| Cell volume | 1922.9 ± 0.6 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 | 0.0852 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for all reflections included in the refinement | 0.1317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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