[Cu(II)(nicotinamide)2(valerate)2] | 946409-86-5

• 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(II)(nicotinamide)2(valerate)2]
• 英文别名: divaleratobis(nicotinamide)copper(II)
• CAS: 946409-86-5
• 化学式: C₂₂H₃₀CuN₄O₆
• 分子量: 510.049
• InChiKey: RFUXRNBOSKYBCV-UHFFFAOYSA-L

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：

  烟酰胺 、 copper(II) n-valerate 以 乙醇 为溶剂， 生成 [Cu(II)(nicotinamide)2(valerate)2]
  参考文献：
  名称：

  Coordination compounds of 3d-metal valerates and benzoates with nicotinamide

  摘要：

  Complexes of iron(II), cobalt(II), nickel(II), copper(II), and zinc valerates and benzoates with nicotinamide were synthesized. The products were characterized by chemical analysis, IR spectroscopy, diffuse reflection spectroscopy, and thermogravimetry.

  DOI：

  10.1134/s107036320709023x

文献信息

• Synthesis and crystal structure of divaleratobis(nicotinamide)copper(II)
  作者：A. S. Antsyshkina、G. G. Sadikov、T. V. Koksharova、I. S. Gritsenko、V. S. Sergienko

  DOI：10.1134/s003602360610010x

  日期：2006.10

  A copper(II) valerate complex with nicotinamide ( L) [CuL2(C4H9COO)(2)] (I) has been synthesized and studied by IR spectroscopy and thermogravimetry. The crystal structure has been determined. The crystals of I are monoclinic, a = 11.297(1) angstrom, b = 6.666(1) angstrom, c = 16.873(2) angstrom, b = 108.50(1)degrees, V = 1204.9(3) angstrom(3), Z = 2, space group P2(1)/c. The structural units of the crystal of I are centrosymmetric tetragonal bipyramidal (4+2) complex molecules. The equatorial positions of the bipyramid are occupied by trans-arranged pairs of O(Cu-O, 1.973 angstrom) and N (Cu-N, 2.006 angstrom) atoms, and the axial positions are occupied by the second O atoms of the valerate anions located at longer distances (Cu-O, 2.506 angstrom). The supramolecular associates formed in the crystal are layers of hydrogen-bonded complexes. The disordered hydrocarbon "tails" of the valerate groups point toward the interlayer space.