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 and (1R, 3S)-1,2,2-trimethyl-1,3-cyclopentandicarboxylic acid, C₇H₁₇N₂O₂⁺.C₁₀H₁₅O₄^-.3H₂O, 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.

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