[Cu(3-phenyl-5-(2-pyridyl)pyrazole)(NO3)2]*2H2O | 370078-71-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Cu(3-phenyl-5-(2-pyridyl)pyrazole)(NO3)2]*2H2O
• 英文别名: copper;2-(3-phenyl-1H-pyrazol-5-yl)pyridine;dinitrate;dihydrate
• CAS: 370078-71-0
• 化学式: C₁₄H₁₅CuN₄O₅*NO₃
• 分子量: 444.848
• InChiKey: SAUWQAHWCHSBML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  copper(II) nitrate trihydrate 、 水 、 2-(5-phenyl-1H-pyrazol-3-yl)pyridine 以 乙醇 为溶剂， 以58%的产率得到[Cu(3-phenyl-5-(2-pyridyl)pyrazole)(NO3)2]*2H2O
  参考文献：
  名称：

  Cu(II) complexes with pyrazole-derived ligands. Crystal structure of {[diaquanitrato(3-phenyl-5-(2-pyridyl)pyrazole)]copper(II)} nitrate

  摘要：

  Reaction of the ligands 3-phenyl-5-(2-pyridyl)pyrazole (HL0) and 3-phenyl-5-(6-methyl-(2-pyridyl))pyrazole (HL1) with Cu(NO3)(2). 3H(2)O and CuX2. xH(2)O (X = Cl, Br) gives complexes with stoichiometry Cu(HL0)(2)X-2. xH(2)O, Cu(HL1)(2)X-2. EtOH, Cu(HL)X-2, Cu(HL)(2)(NO3)(2). xH(2)O (HL = HL0, HL1) and Cu(HL0)(NO3)(2). 2H(2)O. The new complexes were characterised by elemental analyses, conductivity measurements and infrared and electronic spectroscopy. The crystal and molecular structure of [Cu(HL0)(NO3)(H2O)(2)](NO3) consists of discrete cations and NO3 anions linked by hydrogen bonds. The cation complex [Cu(HL0)(NO3)(H2O2)(2)](+) contains a copper(II) with a distorted tetragonal pyramid geometry (tau = 0.094), with a H2O ligand occupying the apical site. The penta-coordinated metal atom is bonded to one pyridinic nitrogen, one pyrazolic nitrogen, one nitrate and two water molecules. The ligand HL0 is not completely planar. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(01)00858-0