Crystal Structure of Theophylline
| Id | 2232996 |
| Common name | theophylline |
| Chemical name | 1,3-dimethyl-7<i>H</i>-purine-2,6-dione |
| a (Å) | 7.8935(6) |
| b (Å) | 12.9087(7) |
| c (Å) | 15.9055(8) |
| α (°) | 90.00 |
| β (°) | 104.214(5) |
| γ (°) | 90.00 |
| V (Å3) | 1571.07(17) |
| Space group | P 1 21/c 1 |
| Temperature (K) | 299 |
| Rint | 0.048 |
Publication: Acta Crystallographica Section E (2011) 67, 12 o3357