Under different conditions, a ligand derived from triazole was selected and reacted with acetic manganese or zinc nitrate, producing two coordination compounds {[Mn (pytyba) (H2O)(3)] center dot 2H(2)O}(n) (1) and {[Zn (pytyba) (H2O)(3)] center dot 4H(2)O}(n) (2) (Hpytyba=4-(5-(pyrazin-2-yl)-1H-1, 2,4-triazol-3-yl)benzoic acid), which were characterized by element analysis, TGA, fluorescence properties and single X-ray crystal diffraction. A lot of common characteristics exist in 1 and 2: both 1 and 2 crystallizes in monoclinic space group C2/c. Both Mn2+ and Zn2+ are six-coordinated and exhibit a distorted-octahedral geometry structure. 1 and 2 show similar thermostability, fluorescence properties and almost the same open channels constitute. One oxygen atom of the ligand coordinated with the metal ion and formed 1D chain, then the 1D structure are further connected by O-H center dot center dot center dot N, O-H center dot center dot center dot O hydrogen bonds and pi-pi interactions to form a 3D supramolecular structure. Superoxide dismutase (SOD) mimetic activity of compound 1 and 2 have been investigated by the modified Marklund method. CCDC: 963156, 1; 972527, 2.