engleski

On the interaction between mercury(II) salts and 3-methylpyrazoline-5-one. The first crystal structure of a cyclic organomercuric compound with dimercurated methylenic carbon atom

Synthesis and characterisation of two types of novel organomercury derivatives of 3-methylpyrazoline-5-one (MepzH2-one), (XHg)2(MepzH-one) (X = Cl , Br ) and Hg(MepzH-one)2 are described. The 1H and 13C NMR data revealed existence of dimercurated compounds in the dimethylsulfoxide-d6 solution. NMR spectra confirmed that the mercuration took place at the C-4 atom of the pyrazole ring. X-ray crystal structure analysis of 4, 4-bis(chloromercurio)-3-methylpyrazoline-5-one revealed almost linear coordination of both mercury atoms (Hg-C 2.099(6) and 2.104(5) &Aring ; ; ; ; ; Hg-Cl 2.330(2) and 2.338(2) &Aring ; ; ; ; ; C-Hg-Cl 171.1(2) and 174.4(2)°). The slight deviation from linearity is caused by contacts with nitrogen or oxygen atoms from the neighbouring molecule (Hg• • • N 2.768(5) and Hg• • • O 2.748(5) &Aring ; ; ; ; ). The molecules are interconnected by hydrogen bonds N-H• • • Cl of 3.286(5) &Aring ; ; ; ; .

direct mercuratin; 3-methylpyrazoline-5-one; crystal structure; NMR

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