Table 1 Calculated energies for each moiety in the asymmetric unit and lattice energies (all values are intended for the neutral molecules, except in the 3 salt form case, where ionic forms are considered for both counterparts).

From: Crystallization from solution versus mechanochemistry to obtain double-drug multicomponent crystals of ethacridine with salicylic/acetylsalicylic acids

Compound id

Energies calculated for each moiety in the asymmetric unit (kJ/mol)

Lattice energy (kJ/mol)

6,9-diamino-2-ethoxyacridine

2-hydroxybenzoic acid

Water #1

Water #2

1

− 179.0

− 158.9

− 39.4

− 43.2

− 420.4

2

− 245.3

− 291.7

− 65.3

–

− 602.3

3 (molecular form)

− 136.1

− 78.4

–

–

− 214.5

3 (salt form)

− 229.8

− 137

–

–

− 366.8

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