bis(acetato)bis(imidazole)cobalt(II) | 32627-42-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: bis(acetato)bis(imidazole)cobalt(II)
• 英文别名: [Co(OAc)2(Im)2]；cobalt(2+);1H-imidazole;diacetate
• CAS: 32627-42-2
• 化学式: C₁₀H₁₄CoN₄O₄
• 分子量: 313.239
• InChiKey: QJKAATMCEZLLFN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.67
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  138
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  咪唑 、 cobalt(II) diacetate tetrahydrate 以 甲醇 为溶剂， 以73%的产率得到bis(acetato)bis(imidazole)cobalt(II)
  参考文献：
  名称：

  双核模型水解酶和异羟肟酸酯抑制剂模型的结构变化：合成，光谱和结构研究

  摘要：

  结构模型水解酶[M2（OAc）4（H2O）（Im）4]的反应；M = Mn（E'）; M = Co（D'）; M ＝ Ni（B′）和[M2（OPiv）4（H2O）（tmen）2]；M ＝ Mn（E″）；M ＝ Co（D″）；M = Ni（B''）与许多异羟肟酸，RHA（乙酰-（R = CH3），苯并-（R = C6H5）和N-苯基乙酰异羟肟酸（NPhAHA））给出了一系列异羟肟酸酯双桥配合物[M2（ OAc）（RA）2（Im）4] [OTf]和[M2（OPiv）（RA）2（tmen）2] [OTf]；M ＝ Co，Ni，其中桥接的异羟肟酸酯显示出新颖的键合模式，其中去质子化的异羟肟酸酯羟基仅桥接两个金属中心。由NPhAHA形成的这种类型的结构是涉及仲异羟肟酸的第一个实例。这些复合物是产气克雷伯菌脲酶（KAU）的乙酰氧肟酸抑制的C319A变体的良好结构模型，其结构与先前报道的含有tmen封端

  DOI：

  10.1016/j.ica.2003.08.021

文献信息

• Model complexes for the carboxylate–histidine–metal triad systems in metalloenzymes. Synthesis, crystal structures and spectroscopic properties of [M(Him)₂(O₂CMe)₂](M = Zn^IIor Co^II, Him = imidazole)
  作者：Xiao-Ming Chen、Bao-Hui Ye、Xiao-Chun Huang、Zhi-Tao Xu

  DOI：10.1039/dt9960003465

  日期：——

  Two monomeric complexes [M(Him)(2)(O(2)CMe)(2)] (M = Zn-II 1 or Co-II 2, Him = imidazole) have been synthesized and structurally characterised by X-ray analysis. The complexes are isostructural. In each structure the metal atom is co-ordinated by a pair of acetate groups and a pair of Him ligands in a distorted-tetrahedral N2O2 environment with M-O 1.965(3)-1.991(2) and 1.972(4)-2.013(4) Angstrom, and M-N 1.996(2)-2.005(2) and 2.020(4)-2.030(5) Angstrom for 1 and 2, respectively The solid-state structures of both complexes involve intermolecular N-H ... O hydrogen bonds between the non-co-ordinated Him nitrogen atoms and the acetate oxygen atoms, with the acetate groups acting in both syn and anti modes, resulting in two types of carboxylate-imidazole-metal systems analogous to those found for metalloenzymes, The IR, Raman and C-13 NMR spectra of the complexes have been recorded and discussed in relation to the crystal structures.