[2,6-bis(3,5-dimethylpyrazol-1-ylmethyl-kN(2))pyridine-kN]bis(thiocyanato-N)copper(II) | 234767-60-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2,6-bis(3,5-dimethylpyrazol-1-ylmethyl-kN(2))pyridine-kN]bis(thiocyanato-N)copper(II)
• 英文别名: [Cu(II)(2,6-bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]pyridine)(thiocyanato)2]；[2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine]copper(II)thiocyanate
• CAS: 234767-60-3
• 化学式: C₁₉H₂₁CuN₇S₂
• 分子量: 475.101
• InChiKey: UTTQICYZGUTMKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.12
• 重原子数：
  29
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  硫氰酸铵 、 Copper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate 以 甲醇 为溶剂， 生成 [2,6-bis(3,5-dimethylpyrazol-1-ylmethyl-kN(2))pyridine-kN]bis(thiocyanato-N)copper(II)
  参考文献：
  名称：

  Manikandan, Palanichamy; Thomas, K.R.Justin; Manoharan, Periakaruppan T., Journal of the Chemical Society, Dalton Transactions, 2000, p. 2779 - 2786

  摘要：

  DOI：

文献信息

• Synthesis, spectra and redox properties of mononuclear five-co-ordinate copper(II) complexes with non-communicable pyrazole/pyridyl containing ligands
  作者：Tapan Kumar Lal、Rajeev Gupta、Samiran Mahapatra、Rabindranath Mukherjee

  DOI：10.1016/s0277-5387(99)00044-3

  日期：1999.4

  A representative complex [Cu(L2)(L4)](ClO4)2 8, having CuN5 co-ordination sphere, has been structurally characterized, to reveal square pyramidal stereochemistry at the copper(II) centre. Conductivity measurements revealed that one of the co-ordinated anions in 3, 5 and 6 is dissociated in solution, with the vacant site occupied by solvent molecule. Absorption and EPR spectral features of 1–8 represent

  摘要使用三齿/双齿杂环氮供体配体与硬-软供体混合[L1 = 2,6-bis]，完成了一系列五配位单核铜（II）化合物（1-8）的合成和表征（吡唑-1-基甲基）吡啶; L2 = 2,6-双（3,5-二甲基吡唑-1-基甲基）吡啶; L3 = 2-（吡唑-1-基甲基）吡啶; L4 ＝ 2-（3，5-二甲基吡唑-1-基甲基）吡啶]。已合成了两种类型的配合物：（i）阴离子结合的配合物[Cu（L1 / L2）X2]（X = Cl-1和2； N3-3和4； SCN-5和6）和（ii）混合-配体配合物[Cu（L1 / L2）（L3 / L4）]（ClO4）2 7和8。配合物1-8仅属于少数具有这类非平面配体的铜（II）配合物，其中吡唑和吡啶环被亚甲基间隔基隔开。具有CuN5配位球的代表性复合物[Cu（L2）（L4）]（ ）2 8，进行了结构表征，以揭示铜（II）中心的方形锥体立体化学。电导率测量表明
• N-bonding vs. S-bonding in thiocyanato-copper(II) complexes
  作者：Franz A. Mautner、Jörg H. Albering、Emily V. Harrelson、August A. Gallo、Salah S. Massoud

  DOI：10.1016/j.molstruc.2011.10.005

  日期：2011.12

  Three mononuclear thiocyanato-Cu(II) complexes have been synthesized: the mono-thiocyanato [Cu(cyclentpam)(NCS)]ClO4 center dot 3H(2)O (1) and [Cu(DPA)(NCS)ClO4] (2), and the dithiocyanato complex Cu(bdmpzpy)(NCS)(2) (3), where cyclen-tpam = 1,4,7,10-tetrakis(propionamide)-1,4,7,10-tetraazacyclododecane, DPA = bis(2-pyridylmethyl)amine, and bdmpzpy = 2,6-bis[(2,5-dimethyl-1-pyrazolyl)methyl]pyridine. The single crystal X-ray crystallography of the complexes confirmed the perfect square pyramidal geometry (SP) in 1 and distorted SP geometry in 2 and 3 with N-bonding coordination mode for the thiocyanato ligands. The IR spectra of the complexes which were consistent with the N-bonding coordination mode of the thiocyanate group(s) and the visible spectra which revealed the square pyramidal geometry around the central Cu2+ ion were in complete agreement with the X-ray structural determination. (C) 2011 Elsevier B.V. All rights reserved.
• [2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl-κN2)pyridine-κN]bis(thiocyanato-N)copper(II)
  作者：Palanichamy Manikandan、K. R. Justin Thomas、Periakaruppan T. Manoharan

  DOI：10.1107/s0108768199015712

  日期：2000.3.15