Premium
Syntheses and X‐Ray crystal structures of aminated 4,4'‐Bi‐1,2,4‐triazole salts
Author(s) -
Zhang Song,
Wang ZhiQiang,
Wang XiaoXu,
Chen MingLong,
Zhang LiJuan,
Liang DeHui,
Zhang Yong,
Li HongBo
Publication year - 2016
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.201600161
Subject(s) - chemistry , steric effects , crystallography , 1,2,4 triazole , molecule , triazole , hydrogen bond , ionic bonding , stacking , aqueous solution , crystal structure , inorganic chemistry , stereochemistry , ion , medicinal chemistry , organic chemistry
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) 3 P/H 2 O and the followed salt forming reaction with concentrated HCl and aqueous TsOH, respectively. Their structures were characterized with elemental analyses, IR, MS, 1 H and 13 C 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.