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Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts

Abstract

An investigation into the substituent effect of positional swap between methoxy and hydroxyl groups on molecular salts was presented in this work. Salts HL1+•NO3- (1), L1•HL1+•ClO4- (2), L1•HL1+•H2PO4-•H2O (3), HL2+•NO3- (4), HL2+•ClO4- (5) and HL2+•H2PO4- (6) have been successfully synthesized and structurally characterized. The investigation was done through the aspect of crystal structure, properties and intermolecular interactions with the assistance of IR, fluorescence spectra, TGA, Hirshfeld surface analyses and π…π stacking motifs. Salt 1 exhibits layered structure while 4 forms a distorted 3-D structure. Salt 2 form an edge-to-face type plane interaction while 5 formed a twisted structure. Note that, water molecules play a key role in the 1-D chain structure of salt 3. The π…π stacking motif of salts 1-3 belongs to the herringbone structure while salts 3-6 belongs to the γ-structure. In addition, the competitive crystallization of the synthetic salts was investigated, which consistent with the measured solubility.

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Publication details

The article was received on 11 Sep 2017, accepted on 06 Oct 2017 and first published on 09 Oct 2017


Article type: Paper
DOI: 10.1039/C7NJ03445H
Citation: New J. Chem., 2017, Accepted Manuscript
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    Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts

    J. Wang, Y. Li, C. Chen, Y. Luo and B. Sun, New J. Chem., 2017, Accepted Manuscript , DOI: 10.1039/C7NJ03445H

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