Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid

作者：Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng^*

来源：Acta Crystallographica Section C-Structural Chemistry, 2017, 73(11): 1010-+.

DOI：10.1107/S2053229617012943

• asymmetric triazole ligands
• dinuclear complexes
• hydrogen bonds
• pi-pi stacking
• supramolecular structure
• one-dimensional coordination polymer
• crystal structure

Because of their versatile coordination modes and strong coordination ability for metals, triazole ligands can provide a wide range of possibilities for the construction of metal-organic frameworks. Three transition-metal complexes, namely bis(mu-1,2,4-triazol-4-ide-3-carboxylato)-kappa(3) N-2, O:N-1; kappa(3) N-1:N-2, O-bis[triamminenickel(II)]tetrahydrate, [Ni-2(C3HN3O2)(2)(NH3)(6)]center dot 4H(2)O, (I), catena-poly[[[diamminediaquacopper(II)]-beta-1,2,4-triazol-4-ide-3-carboxylato-beta 3 N-1 : N-4, O[diamminecopper(II)]-mu-1,2,4-triazol-4-ide-3-carboxylato-kappa(3) N-4, O:N-1]dihydrate], {[Cu-2(C3HN3O2)(2)(NH3)(4)(H2O)(2)]center dot 2H(2)O}(n), (II), (mu-5-amino-1,2,4-triazol-1-ide-3carboxylato-mu(2) N-1 :N-2)di-mu-hydroxido-kappa O-4: O-bis[triamminecobalt(III)]nitrate hydroxide trihydrate, [Co-2(C3H2N4O2)(OH)(2)(NH3)(6)](NO3)(OH)center dot 3H(2)O, (III), with different structural forms have been prepared by the reaction of transition metal salts, i.e. NiCl2, CuCl2 and Co(NO3)(2), with 1,2,4-triazole-3-carboxylic acid or 3-amino-1,2,4-triazole-5-carboxylic acid hemihydrate in aqueous ammonia at room temperature. Compound (I) is a dinuclear complex. Extensive O-H center dot center dot center dot O, OH center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds and pi-pi stacking interactions between the centroids of the triazole rings contribute to the formation of the three-dimensional supramolecular structure. Compound (II) exhibits a one-dimensional chain structure, with O-H center dot center dot center dot O hydrogen bonds and weak O-H center dot center dot center dot N, N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds linking anions and lattice water molecules into the three-dimensional supramolecular structure. Compared with compound (I), compound (III) is a structurally different dinuclear complex. Extensive NH center dot center dot center dot O, N-H center dot center dot center dot N, O-H center dot center dot center dot N and O-H center dot center dot center dot O hydrogen bonding occurs in the structure, leading to the formation of the three-dimensional supramolecular structure.

• 出版日期2017-11
• 单位云南师范大学