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化学学报
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化学学报 ›› 2008, Vol. 66 ›› Issue (2): 266-270. 上一篇    下一篇

研究简报

1-亚甲基苯并咪唑-1,4,7-三氮环壬烷配体及其铜配合物[Cu(C14H21N5)Br]2•[CuBr4]的合成与晶体结构

李庆祥*,1，沈云军1，孟祥高2   

  1. (1武汉工程大学湖北省新型反应器与绿色化学工艺重点实验室 武汉 430073)
    (2华中师范大学化学学院 武汉 430079)
  • 投稿日期:2007-05-09 修回日期:2007-08-27 发布日期:2008-01-28
  • 通讯作者: 李庆祥

Synthesis and Crystal Structures of 1-(Benzimidazol-2-ylmethyl)- 1,4,7-triazacyclononane and Its Copper Complex [Cu(C14H21N5)Br]2•[CuBr4]

LI Qing-Xiang*,1 SHEN Yun-Jun1 MENG Xiang-Gao2   

  1. (1 Hubei Key Laboratory of Novel Chemical Reactor and Green Chemical Technology, Wuhan Institute of Technology, Wuhan 430073)
    (2 College of Chemistry, Huazhong Normal University, Wuhan 430079)
  • Received:2007-05-09 Revised:2007-08-27 Published:2008-01-28
  • Contact: LI Qing-Xiang

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采用新的方法合成了1-亚甲基苯并咪唑-1,4,7-三氮环壬烷配体, 利用该配体合成了一个新的铜配合物[Cu(C14H21N5)Br]2•[CuBr4] ([Cu(C14H21N5)Br]＋•[CuBr4]2－•[Cu(C14H21N5)Br]＋), 并测定了它的晶体结构, 结果表明: 该配合物的晶体属于单斜晶系的C2/c空间群, 晶胞参数a＝1.96209(15) nm, b＝0.82319(5) nm, c＝2.39249(15) nm, α＝90.00°, β＝102.996(2)°, γ＝90.00°, V＝3.7653(4) nm3, Z＝4, μ(Mo Kα)＝8.083 mm－1, Dc＝2.097 Mg/m3, F(000)＝2308, R＝0.0417, wR＝0.0945, GOF＝0.933. 该配合物由两个1-亚甲基苯并咪唑-1,4,7-三氮环壬烷一溴合铜配阳离子和一个四溴合铜配阴离子组成. 在两个配阳离子中, 每个Cu(II)离子与五个配位原子配位(四个氮原子和一个溴阴离子), 位于一个变形四方锥的中心. 在配阴离子中, Cu(II)离子与四个溴阴离子配位, 位于一个稍变形四面体的中心.

关键词: 亚甲基苯并咪唑, 1,4,7-三氮环壬烷, 铜配合物, 晶体结构

Ligand 1-(benzimidazol-2-ylmethyl)-1,4,7-triazacyclononane has been synthesized by a new method, and a new copper complex with this ligand, [Cu(C14H21N5)Br]2•[CuBr4] ([Cu(C14H21N5)Br]＋• [CuBr4]2－•[Cu(C14H21N5)Br]＋), has been synthesized and characterized by X-ray structural determination. It crystallizes in the monoclinic C2/c space group with a＝1.96209(15) nm, b＝0.82319(5) nm, c＝2.39249(15) nm, α＝90.00°, β＝102.996(2)°, γ＝90.00°, V＝3.7653(4) nm3, Z＝4, μ(Mo Kα)＝8.083 mm－1, Dc＝2.097 Mg/m3, F(000)＝2308, R＝0.0417, wR＝0.0945, GOF＝0.933. This complex comprises of two [1-(benzimidazol-2-ylmethyl)-1,4,7-triazacyclononane]bromocopper(II) complex cations and one tetrabromocopper(II) complex anion, in the complex cations, the copper atom is located at the center of a distorted square pyramid of five coordinating atoms (four N atoms and one bromine anion), and in the complex anion, the copper(II) atom is at the center of a slightly distorted tetrahedron of four coordination bromine anions.

Key words: benzimidazol-2-ylmethyl, 1,4,7-triazacyclononane, copper complex, crystal structure