The Rb(NTO).H2O crystal has been synthesized by reaction of 3-nitro-1,2,4-t
riazole-5-one (NTO) with Rb2CO3 in aqueous solution. Its crystal structure
has been determined. The crystal belongs to monoclinic system. Crystal stru
cture data: space group P2(1)/n; a = 0.633 0(1), b = 0.824 1(2), c = 1.296
4(3) nm; beta = 97.90(1)degrees; V = 0.669 9 (2) nm(3) = 4, D-c = 2.306 g/c
m(3), mu = 7.365 (-1), F(000) = 448. An eight coordinated compound is forme
d between Rb+ with oxygen atoms and nitrogen atoms. A layer structure is fo
rmed by coordination bonds and hydrogen bonds. The thermal decomposition me
chanism of this coordination compound is discussed.