Syntheses and X-Ray crystal structures of aminated 4,4'-Bi-1,2,4-triazole salts

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• 作者：Song Zhang ; ZhiQiang Wang ; XiaoXu Wang ; MingLong Chen ; LiJuan Zhang ; DeHui Liang ; Yong Zhang and HongBo Li
• 刊名：Crystal Research and Technology
• 出版年：2016
• 出版时间：October 2016
• 年：2016
• 卷：51
• 期：10
• 页码：595-601
• 全文大小：1079K
• ISSN：1521-4079

文摘

3-Amino-4,4'-bi-1,2,4-triazole hydrochlorate and 3,3'-diamino-4,4'-bi-1,2,4-triazole ditosylate were obtained with the reduction of 3,3',5,5'-tetraazide-4,4'-bi-1,2,4-triazole (TABT) by (Ph)₃P/H₂O and the followed salt forming reaction with concentrated HCl and aqueous TsOH, respectively. Their structures were characterized with elemental analyses, IR, MS, ¹H and ¹³C NMR spectra. The single crystals were cultivated and determined with X-ray diffraction, test results reveal that H⁺ combines with electron-rich N atom in triazole ring to form ionic salts, two N,N-linked triazoles are almost perpendicular to each other due to lower steric hindrance. The aromatic π…π stacking interactions and hydrogen bonds between molecules are observed. These two novel salts and their derivatives may be applied in coordination chemistry, medicinal chemistry and energetic materials.