Synthesis, crystal structure and thermal behavior of Rb(NTO) · H2O

The Rb(NTO)·H2O crystal has been synthesized by reaction of 3-nitro-1,2,4-triazole-5-one (NTO) with Rb2CO3 in aqueous solution. Its crystal structure has been determined. The crystal belongs to monoclinic system. Crystal structure data: space group P21 / n; a = 0.633 0(1), b = 0.824 1(2), c =1.296 4(3) nm; β= 97.90(1)°; V = 0.669 9 (2) nm3 , Z = 4, Dc = 2.306 g/cm3, μ= 7.365 nm-1, F (000) = 448. An eight coordinated compound is formed between Rb+ with oxygen atoms and nitrogen atoms. A layer structure is formed by coordination bonds and hydrogen bonds. The thermal decomposition mechanism of this coordination compound is discussed .