N,N'-ethylenebis(pyridin-2-thione) | 161989-69-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N,N'-ethylenebis(pyridin-2-thione)
• 英文别名: N,N'-1,2-ethylenebis(pyridin-2-thione)；1-[2-(2-Sulfanylidenepyridin-1-yl)ethyl]pyridine-2-thione
• CAS: 161989-69-1
• 化学式: C₁₂H₁₂N₂S₂
• 分子量: 248.373
• InChiKey: DYNCXVICRZNQEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  70.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,N'-ethylenebis(pyridin-2-thione) 、 copper(ll) bromide 以 甲醇 、 硝基甲烷 、 二氯甲烷 为溶剂， 以100%的产率得到
  参考文献：
  名称：

  Chain and rhomboidal “box”-like polymeric metal complexes of N′,N′-1,2-ethylenebis(pyrin-2thione)

  摘要：

  The preparations are reported of a range of complexes of Fe-II, Co-II, Ni-II, Cu-I, Ag-I; Zn and Cd with N,N'-1,2-ethylenebis(pyridin-2-thione) (EBPYT) together with relevant spectroscopic data. The compounds Co(EBPYT)Br-2 (1) and [Ni(EBPYT)(3)](ClO4)(2) . 2MeOH . MeNO2 (2) have been studied by X-ray crystallography. Compound 1 has a chain structure in which tetrahedrally coordinated cobalt centres are linked by bridging EBPYT ligands. In compound 2 octahedrally coordinated "NIS6" centres are connected by EBPYT bridges so as to form a polymeric three-dimensional array of rhomboidal "boxes". (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00029-1

文献信息

• Synthesis and structure of {Cu2(EBPYT)3(PF6)2}n (where EBPYT = N,N′-ethylenebis(pyridin-2-thione)); a novel polymeric complex containing 4-, 18- and 36-membered rings
  作者：David M.L. Goodgame、Dean A. Katahira、Stephan Menzer、David J. Williams

  DOI：10.1016/0020-1693(94)04228-n

  日期：1995.2

  Reaction of N,N'-ethylenebis(pyridin-2-thione) (EBPYT) with [Cu(MeCN)(4)]PF6, in acetonitrile/ethanol yields the complex Cu-2(EBPYT)(3)(PF6)(2)}(n) which has been characterised by single crystal X-ray diffraction studies. The crystals are triclinic, space group P (1) over bar, a=7.552(2), b=10.936(3), c=15.039(4) Angstrom, alpha=110.93(2), beta=95.40(2), gamma=100.72(2)degrees, Z=2. Each Cu(I) ion is tetrahedrally coordinated by four sulfur atoms, one from each of four different EBPYT ligands. Two of the sulfur atoms bridge pairs of copper atoms to form Cu2S2 units. These are further linked by the EBPYT ligands to form novel chains of contiguous 18- and 36-membered rings.