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首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >Crystal structure, thermal behaviour and detonation characterization of bis(4,5-diamino-1,2,4-triazol-3-yl)methane monohydrate
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Crystal structure, thermal behaviour and detonation characterization of bis(4,5-diamino-1,2,4-triazol-3-yl)methane monohydrate

机译：BIS（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

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摘要

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