Bis(4,5‐diamino‐1,2,4‐triazol‐3‐yl)methane monohydrate (BDATZM·H₂O or C₅H₁₀N₁₀·H₂O) was synthesized and its crystal structure characterized by single‐crystal X‐ray diffraction; it belongs to the space group P (triclinic) with Z = 2. The structure of BDATZM·H₂O 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·H₂O 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.

中文翻译：

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双（4,5-二氨基-1,2,4-三唑-3-基）甲烷一水合物的晶体结构，热行为和爆轰表征。

合成了双（4,5-二氨基-1,2,4-三唑-3-基）甲烷一水合物（BDATZM·H ₂ O或C ₅ H ₁₀ N ₁₀ ·H ₂ O），其晶体结构为单-晶体X射线衍射；它属于Z = 2的空间群P（三斜晶）。BDATZM·H ₂ O的结构可以描述为具有广泛氢键且无序的二维阶梯面。通过差示扫描量热法（DSC）和热重/差热重（TG / DTG）方法研究了非等温条件下的热行为。爆震速度（D）和爆震压力（P）根据实验密度，使用氮当量方程估算BDATZM）。比较了BDATZM·H ₂ O和双（5-氨基-1,2,4-三唑-3-基）甲烷（BATZM）的效果，确定了氨基的作用。结果表明，氨基基团增加了亲水性，空间利用率和能量，并降低了所得化合物的热稳定性和对称性。