Structure and Hirshfeld Surface Analysis of N,N-dimethylbenzylammonium Salts of 2,4-dichlorophenoxyacetic and Citric Acid

Both N,N-dimethylbenzylammonium salts of 2,4-dichlorophenoxyacetic and citric acid were obtained through the slow solvent evaporation method. The characterization was done by the single crystal X-ray diffraction, IR and elemental analysis, and their melting points were also measured. The N,N-dimethylbenzylammonium at salts 1-2 were both involved in the classical ionic N-H∙∙∙O H-bonds. The O-H···O H-bonds were also present in the both salts. Apart from the classical H-bonds, the auxiliary interactions of CH-O/CH2···O/CH3···O, CH-Cl/CH3-Cl and CH2-π also helped the stabilization and expansion of the whole 2D-3D packings. The influence of the major intermolecular interactions was evaluated further by the Hirshfeld surface analysis and found that the H···O/H···H contacts are dominant within the both crystalline salts. For the presence of the various nonbonding associations the synthons R12(5), R21(5), R21(6), R21(7), R22(8), R22(9), R22(10), R22(11), R22(12), R32(9), R33(8), R33(10), R44(11), R44(36), R64(18) and R66(36) were enclosed. The synthon R22(8) was established in the both salts. The work here laid the robust foundation for further developing the new organic crystalline salts of the N,N-dimethylbenzylamine.