Crystal Structure of Caffeinium bisulfate monohydrate
| Id | 2231420 |
| Common name | Caffeinium bisulfate monohydrate |
| Chemical name | 1,3,7-trimethyl-2,6-dioxo-7<i>H</i>-purin-9-ium hydrogen sulfate monohydrate |
| a (Å) | 9.8296(10) |
| b (Å) | 6.2879(6) |
| c (Å) | 21.340(2) |
| α (°) | 90.00 |
| β (°) | 90.788(2) |
| γ (°) | 90.00 |
| V (Å3) | 1318.8(2) |
| Space group | P 1 21/c 1 |
| Temperature (K) | 293(2) |
| Rint | 0.0392 |
Publication: Acta Crystallographica Section E (2011) 67, 9 o2290