Crystal structure, thermal behaviour and detonation characterization of bis(4,5-diamino-1,2,4-triazol-3-yl)methane monohydrate

Author:

Yan Biao,Li Hongya,Ma Haixia,Ma Xiangrong,Sun Zhiyong,Ma Yajun

Abstract

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-1 (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.

Funder

National Natural Science Foundation of China

Provincial Natural Science Foundation of Shaanxi

Startup Foundation for Advanced Talents of Yulin University

Key Laboratory Project Foundation of Shaanxi Provincial Education Department in China

Publisher

International Union of Crystallography (IUCr)

Subject

Materials Chemistry,Inorganic Chemistry,Physical and Theoretical Chemistry,Condensed Matter Physics

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