Trihydrate 1/1 salt between (R)-carnitine amide and (1R,3S)-camphoric acid

The crystal structure of the trihydrate 1/1 salt between (R)-carnitine amide and (1R,3S)-camphoric acid, (R)-3-hydroxy-4-(trimethylammonio)butanamide (1R,3S)-1-carboxy-1,2,2-trimethyl-3-cyclopentanecarboxylate trihydrate, C7H17N2O2+. C10H15O4-. 3H(2)O, is characterized by alternating layers of camphoric acid and carnitine amide molecules, both connected by a network of hydrogen bonds involving water molecules. Molecular-mechanics calculations using periodic boundary conditions, with two different force fields (CVFF and AMBER) and a dielectric constant ranging between 1 and 10, indicate that such commercial packages are not fully suitable when different kinds of forces are involved.