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Non-covalent bonded 1D-3D supramolecular salts from tert‑butylamine and organic acids.

Authors :
Hu, Kaikai
Wang, Peiqi
Jin, Shouwen
Chen, Bin
Hu, Zhiyan
Ye, Wen
Guo, Ming
Wang, Daqi
Source :
Journal of Molecular Structure. Apr2022, Vol. 1253, pN.PAG-N.PAG. 1p.
Publication Year :
2022

Abstract

• Fourteen salts have been prepared and structurally characterized. • H-bonds of the salts have been ascertained. • The N H···O H-bonds are the key forces in the structures. • Secondary interactions also play important role in structure propagation. Cocrystallization of the widely available simplest voluminous primary amine, tert ‑butylamine, with a set of acids got a total of 14 salts, which have been featured by XRD technique, Infrared spectra and elemental analysis. Their melting points were also surveyed. Their structural and supramolecular aspects are analyzed in detail. All compounds are ionic, with H-transferring to the NH 2 of the tert ‑butylamine. The results unveil that among all the studied crystals the NH 2 in L are protonated when the acids are deprotonated, the crystal packing is interpreted via the strong N H⋯O H-bond from the NH 3 + and the deprotonated acids. Apart from the N H⋯O H-bond, the O H···O H-bonds were also existed at 6 and 12. Salts 1 - 2 had the N H⋯S H-bond. The N H···Cl H-bond existed in 7. Further view of the crystal packing told that a different array of additional CH 3 ···S, O···Cl, S···S, CH 3 ···C, CH 3 ···CH 3 , C H···O/CH 3 ···O, CH 2 ···Cl, CH···N, CH 3 ···π and π···π contacts help the stabilization and expansion of the whole structures. For the synergism of the various nonbonding contacts these structures had the hetero supramolecular synthons. Some classical synthons of R 2 2(8), R 4 2(8), R 4 3(10) and R 4 4(12), commonly present in solids of organic acids with amine, were again shown to be created in making these H-bonding nets. [Display omitted] [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00222860
Volume :
1253
Database :
Academic Search Index
Journal :
Journal of Molecular Structure
Publication Type :
Academic Journal
Accession number :
155149587
Full Text :
https://doi.org/10.1016/j.molstruc.2021.132208