In Situ Synthesis, Crystal Structure and Fluorescence of Zn(C5H4NCO2H)2(H2O)2 • 2Cl

Zn(C5H4NCO2H)2(H2O)2 • 2Cl (1) has been synthesized in situ via hydrothermal reaction and characterized by single crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 6.342(2), b = 10.164(3), c = 13.717(4) Å, β= 113.62(1)°, C12H14Cl2N2O6Zn, Mr = 418.54, V = 810.1(4) Å3, Z = 2, Dc = 1.716 g/cm3, S = 1.063, μ(MoKα) = 1.875 mm–1, F(000) = 424, R = 0.0276 and wR = 0.0780. The crystal structure analysis of 1 reveals that the title compound features a structure consisting of isolated units, based on discrete chloride ions and octahedral zinc cations six-coordinated by four oxygen and two nitrogen atoms. The chloride ions and [Zn(C5H4NCO2H)2(H2O)2]2+ moieties are interconnected by hydrogen bonding interactions to yield a 3-D supramolecular framework. Luminescent investigation reveals an emission in blue region, which may be originating from π → π* charge-transfer interaction of the pyridine-2-carboxylic acid.