Crystal Structure and Thermal Decomposition of 1-Methyl-4,5-Dinitroimidazole

陈丽珍; 王小军; 耿天奇; 王建龙

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Crystal Structure and Thermal Decomposition of 1-Methyl-4,5-Dinitroimidazole

更新时间：2026-09-14

- Crystal Structure and Thermal Decomposition of 1-Methyl-4,5-Dinitroimidazole
- 1-甲基-4,5-二硝基咪唑的晶体结构与热分解特性
- Vol. 33, Issue 2, Pages: 159-163(2012)
- 作者机构：
  
  1. 中北大学化工与环境学院
  2. 甘肃银光化学工业集团有限公司
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Published：2012
- 稿件说明：
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陈丽珍, 王小军, 耿天奇, et al. Crystal Structure and Thermal Decomposition of 1-Methyl-4,5-Dinitroimidazole[J]. 2012, 33(2): 159-163.
DOI：

陈丽珍, 王小军, 耿天奇, et al. Crystal Structure and Thermal Decomposition of 1-Methyl-4,5-Dinitroimidazole[J]. 2012, 33(2): 159-163. DOI：

摘要

以1-甲基咪唑为原料

通过硝化合成了1-甲基-4

5-二硝基咪唑.以乙腈为溶剂培养得到了1-甲基-4

5-二硝基咪唑单晶

用X射线单晶衍射仪测定了晶体结构.结果表明:晶体属斜方晶系

空间群为P na21.晶体学参数为:a=0.841 2(2)nm

b=1.264 6(3)nm

c=0.656 3(1)nm

V=0.698 2(3)nm3

Z=4

Dc=1.637 g.cm-3

μ=0.147mm-1

F(000)=352.用DSC研究了热分解过程

结果表明:1-甲基-4

5-二硝基咪唑的分解由一个吸热和一个放热过程组成

吸热峰由晶体熔融转变引起

放热峰由热分解所致;较高的分解温度表明1-甲基-4

5-二硝基咪唑有较好的热稳定性.

Abstract

1-methyl-4

5-dinitroimidazole was synthesized with 1-methylimidazole as primary substance by nitration.The single crystal of 1-methyl-4

5-dinitroimidazole was cultivated from acetonitrile.Its crystal structure was determined by X-ray single crystal diffractometer.The results show that the crystal is belong to orthorhombic system

space group P na21

with crystal parameters of a=0.841 2(2) nm

b=1.264 6(3) nm

c=0.656 3(1) nm

V=0.698 2(3) nm3

Z=4

Dc=1.637 g·cm-3

μ=0.147 mm-1

F(000)=352.Its thermal decomposition mechanism was studied by DSC.The thermal decomposition of 1-methyl-4

5-dinitroimidazole consists of one endothermic and one exothermic decomposition processes continuously.The endothermic peak is attributed to the crystal transformation and the exothermic peaks are due to the decomposition reaction of 1-methyl-4

5-dinitroimidazole.Higher decomposition temperature shows that 1-methyl-4

5-dinitroimidazole has better thermal stability.

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