Synthesis and crystal structure of a manganese complex with 3-methyl-4-(p-bromophenyl)-5-(2-pyridyl)-l,2,4-triazole

Abstract

A new manganese(H) complex, cis-[MnL 2(NCS) 2], (L=3-methyl-4-(p-bromophenyl)-5-(2-pyridyl)-1,2,4- triazole), was synthesized and characterized by X-ray crystallography, FTIR and ESI-MS spectra. The complex crystallizes in monoclinic system with space group P2 1ln, a =1.648 0(2), b =0.907 07(13), c=2.191 9(3) nm, β= 97.454(2)°, 1=3.248 8(8) nm 3, Z=4 with final R =0.043 9. The manganese atom lies in a distorted octahedral environment with two NCS ions in the cis positions. The ligand L coordinates via one triazole nitrogen and one pyridine nitrogen atom. CCDC: 790351.

以3-甲基-4-对溴苯基-5-(2-吡啶基)-1，2，4-三氮唑作为配体(L)，合成了1个新的锰配合物[MnL2(NCS)2]，对其进行了红外、电喷雾质谱和单晶结构表征，该配合物属于单斜晶系，空间群P21/n，a=1.648 0(2) nm，b=0.907 07(13) nm，c=2.191 9(3) nm，β=97.454(2)°，V=3.248 8(8) nm3，Z=4，R1=0.043 9。单晶结构表明，锰离子处于1个扭曲的八面体配位环境中，2个硫氰根离子呈顺式配位，每个配体L通过三氮唑上1个氮原子和吡啶上1个氮原子参与配位。