Structure and Hirshfeld surface analysis
of N,N-dimethylbenzylammonium salts
of 2,4-dichlorophenoxyacetic
and
citric acid
- Received: February, 20, 2025
- Revised: April, 16, 2025
- Accepted for publication: April, 16, 2025
- DOI 10.26902/JSC_id148584
- EDN: EPOWWD
- Views: 125
1 Jiyang College, Zhejiang Agriculture and Forestry University, Zhu’ji, Zhejiang Province, P. R. China
2 Department of Chemistry, Liaocheng University, Liaocheng, P. R. China
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.
Keywords: crystallographic characterization, hydrogen bonding, N,N-dimethylbenzylamine, carboxylic acids, salts, Hirshfeld surface analysis
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Импакт-фактор 2025 1.5 |
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