Crystal Structure of Theobromine
| Id | 2007943 |
| Common name | theobromine |
| Chemical name | 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione |
| a (Å) | 9.2990(14) |
| b (Å) | 18.6980(10) |
| c (Å) | 9.0381(16) |
| α (°) | 90.0 |
| β (°) | 91.75(3) |
| γ (°) | 90.0 |
| V (Å3) | 1570.7(4) |
| Space group | P 1 21/c 1 |
| Temperature (K) | 293 |
Publication: Acta Crystallographica Section C (1998) 54, 12 1980-1983