Structure of Tetra[β-(1,2,4-triazole-1-yl)propiophenone] Dichloro Nickel(II) Solvate Hexahydrate Complex: [NiCl_2(C_2H_2N_3CH_2CH_2COPh)_4]·6H_2O  

作　　者：建方方 肖海连 于冰 焦奎 

机构地区：[1]New Materials & Function Coordination Chemistry Laboratory, Qingdao University of Science and Technology, Qingdao, Shandong 266042, China

出　　处：《Chinese Journal of Chemistry》2003年第9期1165-1169,共5页中国化学（英文版）

基　　金：theNaturalScienceFoundationofShandongProvince (No .Y2 0 0 2B0 6 )andtheOutstandingAdult YoungScientificResearchEncouragingFoundationofShandongProvince (No .O1BS18)

摘　　要：The mononuclear complex, [NiCl 2(trzCH 2CH 2COPh) 4]·6H 2O (trz=1,2,4-triazole), was synthesized and its structure was determined by single crystal X-ray determination. It crystallizes in the monoclinic system, space group P2 1/c, with lattice parameters: a= 0.80391(2) nm, b= 1.08215(2) nm, c=2.90133(2) nm, β=94.792 (1)° and Z=2. Each nickel atom is coordinated by four N atoms of triazole from four β-(1,2,4-triazole-1-yl)propiophenone ligands and two chloride anions in trans arrangement with octahedral coordination geometry. In addition to the coordinating nickel complex, there are six uncoordinated water molecules. The Ni-Cl distance is 0.24865(8) nm and the Ni-N distances are in the range of 0.2072(2) to 0.2099(2) nm, respectively. In the solid state, the title compound forms three dimensional network structure through hydrogen bonds. The intermolecular hydrogen bonds connect the [NiCl 2(C 2H 2N 3CH 2CH 2COPh) 4] and H 2O moieties. The deep green crystals were also examined by elemental analysis, FT-IR and UV spectra, which are in agreement with the structural data.The mononuclear complex, [NiCl 2(trzCH 2CH 2COPh) 4]·6H 2O (trz=1,2,4-triazole), was synthesized and its structure was determined by single crystal X-ray determination. It crystallizes in the monoclinic system, space group P2 1/c, with lattice parameters: a= 0.80391(2) nm, b= 1.08215(2) nm, c=2.90133(2) nm, β=94.792 (1)° and Z=2. Each nickel atom is coordinated by four N atoms of triazole from four β-(1,2,4-triazole-1-yl)propiophenone ligands and two chloride anions in trans arrangement with octahedral coordination geometry. In addition to the coordinating nickel complex, there are six uncoordinated water molecules. The Ni-Cl distance is 0.24865(8) nm and the Ni-N distances are in the range of 0.2072(2) to 0.2099(2) nm, respectively. In the solid state, the title compound forms three dimensional network structure through hydrogen bonds. The intermolecular hydrogen bonds connect the [NiCl 2(C 2H 2N 3CH 2CH 2COPh) 4] and H 2O moieties. The deep green crystals were also examined by elemental analysis, FT-IR and UV spectra, which are in agreement with the structural data.

关 键 词：β-triazole-1-yl)propiophenone ligand single crystal structure octahedral coordination geometry dichloronickel(II) complex 

分 类 号：O627[理学—有机化学]