Abstract
Two novel isostructural coordination compounds of manganese(II) (1) and iron(II) (2) with common formulae [MII(NCS)2(nia)2(OH2)2] have been prepared from water solution of appropriate metal salt, nicotinamide and KSCN. Their crystal structures were determined by means of X-ray diffraction on single crystals. The mononuclear title compounds crystallize in a triclinic P-1 space group with six monodentate octahedrally arranged ligands around the metal centre. The coordination molecules are self-assembled with an extended network of hydrogen bonds into a three-dimensional structure. Additionally, 1 and 2 were characterized with infrared spectroscopy, magnetic measurements and thermal analysis.
Highlights
The biological importance of transition metal ions such as manganese and iron cannot be denied:[1,2] manganese(II) ions act as cofactors in a variety of enzymes with a spectra of functions while the main roles of iron-containing species are electrons and oxygen transfer
Nicotinamide is an amide of nicotinic acid and is a precursor to nicotinamide adenine dinucleotide phosphate (NADP), which is crucial for ATP synthesis, redox reactions and ADP-ribose transfer reactions.[5]
We report on preparation, crystal structure, spectroscopic, magnetic and thermal properties of two
Summary
The biological importance of transition metal ions such as manganese and iron cannot be denied:[1,2] manganese(II) ions act as cofactors in a variety of enzymes with a spectra of functions while the main roles of iron-containing species are electrons and oxygen transfer. The thiocyanate anion is typically bound monodentately, mostly via its N-end, following by additional bridging via its remaining S-end; the monodentate coordination via its S-end is the least common.[10] Combining both ligands, a variety of extended frameworks interconnected by hydrogen and/or coordination bonds leading to interesting physical properties, e.g. magnetism or catalytic activity, can be formed.[11]. The Cambridge Structural Database contains only four structures of coordination compounds exclusively with thiocyanate and nicotinamide ligands at the same time:[10] with zinc(II) ([Zn(NCS)2(nia)2], refcode KITGAW),[12] copper(II) ([Cu(μ2-SCN)(nia)2]n, refcode UFAXII),[13] cadmium(II) ([Cd(μ2-SCN)2(nia)2]n·nH2O, refcode QIFMAT)[14] and mercury(II) ([Hg(μ2-SCN)(NCS)(nia)]n, refcode KITFUP).[12] Three additional crystal structures containing coordinated water are known: with copper(II) ([Cu(NCS)2(nia)2(OH2)], refcode GISJAU)[15], cobalt(II) ([Co(NCS)2(nia)2(OH2)2], refcode TCNICO)[16,17] and nickel(II) ([Ni(NCS)2(nia)2(OH2)2], refcode CIVRAC),[18,19] the latter two being isostructural with the title complexes. Mononuclear coordination complexes with common formulae [MII(NCS)2(nia)2(OH2)2] (M = Mn, Fe)
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