Yan Biao, Li Hongya, Ma Haixia, Ma Xiangrong, Sun Zhiyong, Ma Yajun
School of Chemistry and Chemical Engineering, Yulin University, Yulin, Shaanxi 719000, People's Republic of China.
School of Chemical Engineering, Northwest University, Xi'an, Shaanxi 710069, People's Republic of China.
Acta Crystallogr C Struct Chem. 2020 Sep 1;76(Pt 9):891-896. doi: 10.1107/S2053229620011080. Epub 2020 Aug 14.
Bis(4,5-diamino-1,2,4-triazol-3-yl)methane monohydrate (BDATZM·HO or CHN·HO) was synthesized and its crystal structure characterized by single-crystal X-ray diffraction; it belongs to the space group P-1 (triclinic) with Z = 2. The structure of BDATZM·HO can be described as a two-dimensional ladder plane with extensive hydrogen bonding and no disorder. The thermal behaviour was studied under non-isothermal conditions by differential scanning calorimetry (DSC) and thermogravimetric/differential thermogravimetric (TG/DTG) methods. The detonation velocity (D) and detonation pressure (P) of BDATZM were estimated using the nitrogen equivalent equation according to the experimental density. A comparison between BDATZM·HO and bis(5-amino-1,2,4-triazol-3-yl)methane (BATZM) was made to determine the effect of the amino group; the results suggest that the amino group increases the hydrophilicity, space utilization and energy, and decreases the thermal stability and symmetry of the resulting compound.
