| 1233188-35-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 1233188-35-6
• 化学式: C₁₀H₁₄N₄O₆
• 分子量: 286.244
• InChiKey: DUDLNVDUBMGDSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.08
• 重原子数：
  20.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  157.52
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  吡啶 、 乙醇 、 、 copper(II) acetate monohydrate 在 NH₄OH 作用下， 以 吡啶 、 乙醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Binuclear copper(II) complexes with acyldihydrazones of saturated carboxylic acids and pyruvic acid

  摘要：

  Copper(II) binuclear complexes with acyldihydrazones of saturated carboxylic acids and pyruvic acid in which the coordination polyhedra are connected by polymethylene chains of different length (1 to 5 units) were synthesized and studied by chemical and thermogravimetric analysis, IR spectroscopy, and EPR. The structure of binuclear copper(II) complex with succinic acid acyldihydrazone [Cu2L center dot 4Py]center dot 2Py was determined by X-ray diffraction. The crystals are monoclinic: a = 14.3795(6), b = 8.8736(4), c = 15.9147(7) angstrom, beta = 101.062(3)degrees, space group P2(1)/c, Z = 2. The number of independent reflections with I > 2 sigma(I) = 2804, R = 0.042, R-w = 0.087. The copper atoms are spaced by a chain of seven sigma bonds at 8.922 angstrom. The coordination polyhedron can be described as a tetragonal pyramid highly distorted toward a trigonal bipyramid. The EPR spectra of solutions of complexes based on malonic, succinic, glutaric, and adipinic acids exhibit a poorly resolved signal of seven HFS lines with a constant of (26.3-27.0) x 10(-4) cm(-1), which attests to the presence of weak exchange interactions between paramagnetic centers. An increase in the length of the polymethylene spaur suppresses exchange interactions, and the EPR spectrum of the complex based on pimelic acid acyldihydrazone shows a signal of four HFS lines with a constant of 43.8 x 10(-4) cm(-1) typical of monomeric copper(II) complexes.

  DOI：

  10.1134/s0036023609070146