On the interaction between mercury(II) salts and 3-methylpyrazoline-5-one. The first crystal structure of a cyclic organomercuric compound with a dimercurated methylenic carbon atom |
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| Authors: | Z Popović D Matković-Čalogović Ž Soldin D Vikić-Topić G Giester |
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| Institution: | (1) Laboratory of General and Inorganic Chemistry, Department of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, HR-10000 Zagreb, Croatia;(2) Ru er Bošković Institute, NMR Center, P.O. Box. 180, HR-10000 Zagreb, Croatia;(3) Institut für Mineralogie und Kristallographie, Geozentrum, Universität Wien, Althanstraβe 14, A-1090 Wien, Austria |
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| Abstract: | Synthesis and characterization 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-d
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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) ; Hg–Cl 2.330(2) and 2.338(2) ; 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) ]. The molecules are interconnected by hydrogen bonds N–H Cl of 3.286(5) . |
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| Keywords: | Direct mercuration 3-methylpyrazoline-5-one Crystal structure NMR |
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