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Information card for entry 2012268
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| Coordinates | 2012268.cif |
|---|---|
| Structure factors | 2012268.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-amino-5-ethyl-1,3,4-thiadiazole |
|---|---|
| Formula | C4 H7 N3 S |
| Calculated formula | C4 H7 N3 S |
| SMILES | s1c(N)nnc1CC |
| Title of publication | 2-Amino-5-methyl-1,3,4-thiadiazole and 2-amino-5-ethyl-1,3,4-thiadiazole |
| Authors of publication | Lynch, Daniel E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 10 |
| Pages of publication | 1201 - 1203 |
| a | 7.2752 ± 0.0003 Å |
| b | 10.7294 ± 0.0004 Å |
| c | 15.4991 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1209.84 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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