Abstract
A new hydro-compound Cs(NTO)·H 2O has been synthesized by reaction of 3-nitro-1,2,4-triazole-5-one(NTO) with Cs 2CO 3 in aqueous solution and Cs(NTO)·H 2O was recrystallized to be lemon yellow single crystal. Its crystal structure has been determined. This crystal belongs to monoclinic system and crystal structure data: space group P2 1/ n, a=0.6329(1) nm, b=0.8439(1) nm, c=1.3394(2) nm β=96.05°(1). Density (calculated), D c =2.614 g cm −3, V=0.7113(2) nm 3 Z=4, μ=5.0185 mm −1, F(000)=520, R=0.022, wR=0.0501. Cs atom is coordinated with eight oxygen atom of water and nitrogen of NTO. Layer structure is formed by hydrogen bonds. The thermal behavior of this compound is discussed.
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