Binding of mercury(II) by N-(2-mercaptopropionyl) glycine. Synthesis, IR and NMR characterization. crystal structure of the 1 : 2 solvate of bis[N-(propionyl-2-thiolato)glycine]mercury(II) with 4-methylpyridine

Popović, Zora; Matković-Čalogović, Dubravka; Hasić, Jasmina; Sikirica, Milan; Vikić-Topić, Dražen (1999) Binding of mercury(II) by N-(2-mercaptopropionyl) glycine. Synthesis, IR and NMR characterization. crystal structure of the 1 : 2 solvate of bis[N-(propionyl-2-thiolato)glycine]mercury(II) with 4-methylpyridine. Croatica Chemica Acta, 72 (2-3). pp. 279-294. ISSN 0011-1643

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Abstract

Bis[N-(propionyl-2-thiolato)glycine]mercury(II), Hg[SCH(CH3)CO-NHCH2COOH](2), was obtained by the reaction of an aqueous solution of N-(2-mercaptopropionyl)glycine and mercury(II) acetate. From the 4-methylpyridine (gamma-picoline) solution it crystallizes as a 1:2 solvate, Hg[SCH(CH3)CONHCH2COOH](2) . 2C(6)H(7)N, in the triclinic system, space group P (1) over bar with a = 4.810(5) Angstrom, b = 9.711(4) Angstrom, c = 15.615(8) Angstrom, alpha = 105.76(4)degrees, beta = 103.44(4)degrees, gamma = 94.01(4)degrees, Z = 1, R = 0.027. Two N-(propionyl-2-thiolato)glycine molecules are bonded centrosymmetrically to mercury over sulfur atoms as mercaptide at a distance of 2.341(2) Angstrom. Hg(mpgH)(2) molecules are connected by centrosymmetrically related hydrogen bonds N1-H ... O3 of 2.922(5) Angstrom into chains along [100]. Each molecule also forms two hydrogen bonds O1-H ... N2 of 2.612(6) Angstrom with two gamma-picoline molecules. The structure of complexes and binding to sulfur were substantiated by H-1 and C-13 NMR spectroscopy on the basis of mercury induced chemical shifts, H-H and C-H coupling constants and connectivities in two-dimensional homo- and heteronuclear correlated spectra.

Item Type:	Article
Uncontrolled Keywords:	mercury(II); N-(2-mercaptopropionyl)glycine; bis[N-(propionyl-2-thiolato)glycine]mercury(II); X-ray crystal structure; IR spectra; one- and twodimensional homo- and heteronuclear H-1 and C-13 NMR spectra; nuclear magnetic-resonance; mercuration products; acid; complexes; sulfhydryl; stability; chemistry; polymers; peptides
Subjects:	NATURAL SCIENCES > Chemistry
Divisions:	NMR Center
Projects:	Project title Project leader Project code Project type Izotopno obilježavanje i molekulske spektroskopije Goran Baranović 00980802 MZOS Kemija žive u molekulskim sustavima od biološkog značaja Milan Sikirica 119408 MZOS
Depositing User:	Dražen Vikić-Topić
Date Deposited:	25 Nov 2013 14:29
URI:	http://fulir.irb.hr/id/eprint/1119

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