Crystal Structure of Caffeine—–<i>N</i>-phthaloyl-β-alanine (1/1)
| Id | 2235204 |
| Common name | Caffeine—–<i>N</i>-phthaloyl-β-alanine (1/1) |
| Chemical name | 3-(1,3-dioxoisoindolin-2-yl)propanoic acid-- 1,3,7-trimethyl-1<i>H</i>-purine-2,6(3<i>H</i>,7<i>H</i>)-dione (1/1) |
| a (Å) | 8.3411(17) |
| b (Å) | 9.0638(18) |
| c (Å) | 13.162(3) |
| α (°) | 77.105(4) |
| β (°) | 82.394(4) |
| γ (°) | 72.865(4) |
| V (Å3) | 924.6(3) |
| Space group | P -1 |
| Temperature (K) | 130(2) |
| Rint | 0.0394 |
Publication: Acta Crystallographica Section E (2012) 68, 6 o1888