Exploring zinc(II) coordination chemistry with picolinate and amino alcoholsModec, Barbara (Avtor) Podjed Rihtaršič, Nina (Avtor) López-Serrano, Joaquín (Avtor) Hrast Rambaher, Martina (Avtor) Golob, Majda (Avtor) zinc(II)picolinic acidamino alcoholscrystal structureDFT calculationsantibacterial activityZinc(II) coordination chemistry with picolinate (abbreviated as pic$^–$, an anion of pyridine-2-carboxylic acid) and a series of β-amino alcohols (2-aminoethanol, 2-methylaminoethanol, 2-ethylaminoethanol, 2-dimethylaminoethanol, 2-amino-1-propanol, 1-amino-2-butanol, and 1-amino-2-methyl-2-propanol) was systematically investigated. Reaction systems typically yielded complexes with the general composition [Zn(pic)$_2$(amino alcohol)] via a straightforward synthetic route. Zinc(II) adopts an octahedral coordination environment consisting of two N,O-bidentate chelating picolinates and one amino alcohol, likewise coordinated in a chelating manner through amino and hydroxyl groups. As no fac isomers were isolated, the relative stability of mer and fac isomers of the 2-methylaminoethanol complex was evaluated by DFT calculations, which supported a preference for the mer geometry. Interestingly, the 1-amino-2-methyl-2-propanol system also produced an ionic species, [Zn(pic)$_3$]$^−$, which crystallized as a salt with protonated amino alcohol. All novel compounds were characterized using infrared and $^1$H NMR spectroscopy, elemental analysis, mass spectrometry, and single-crystal X-ray diffraction. Selected tris-chelates displayed moderate antibacterial activity against S. epidermidis, with MIC values ranging from 32 to 64 μg/mL, whereas picolinic acid alone was inactive.20262026-09-02 14:00:46Članek v reviji186510UDK: 546.47:547.435:547.82ISSN pri članku: 2470-1343DOI: 10.1021/acsomega.6c02474COBISS_ID: 282035459sl