Crystal Structure of Caffeine:3,5-pyrazoledicarboxylic acid
| Id | 8000333 |
| Common name | caffeine:3,5-pyrazoledicarboxylic acid |
| a (Å) | 7.41440(10) |
| b (Å) | 7.8692(2) |
| c (Å) | 13.9978(2) |
| α (°) | 79.205(2) |
| β (°) | 76.448(2) |
| γ (°) | 67.097(2) |
| V (Å3) | 727.15(3) |
| Temperature (K) | 100(2) |
| Rint | 0.023 |
Publication: The journal of physical chemistry letters (2019) 10, 22 7224-7229