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Information card for entry 8101660
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| Coordinates | 8101660.cif |
|---|
| Formula | C3 H8 Cl N3 O S |
|---|---|
| Calculated formula | C3 H8 Cl N3 O S |
| Title of publication | Crystal structure of 2-amino-5-methyl-3<i>H</i>-1,3,4-thiadiazolium chloride hydrate, [C~2~N~2~SH(CH~3~)(NH~2~)]^+^Cl^-^ · H~2~O |
| Authors of publication | Pilz, Astrid; Müller, Ulrich; Díaz, Isabel; Fernández, Vicente |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1998 |
| Journal volume | 213 |
| Journal issue | 4 |
| Pages of publication | 773 - 774 |
| a | 5.2 ± 0.0014 Å |
| b | 9.592 ± 0.002 Å |
| c | 15.215 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 758.9 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0714 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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