bis(acetato)bis(imidazole)zinc(II) | 74194-01-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: bis(acetato)bis(imidazole)zinc(II)
• 英文别名: Zn(II)(imidazole)2(acetate)2；Zn(imidazole)2(CH3COO)2；[Zn(OAc)2(Im)2]；zinc;1H-imidazole;diacetate
• CAS: 74194-01-7
• 化学式: C₁₀H₁₄N₄O₄Zn
• 分子量: 319.636
• InChiKey: FCTWYRAJLFVBBH-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 、 zinc diacetate 以 甲醇 为溶剂， 以66%的产率得到bis(acetato)bis(imidazole)zinc(II)
  参考文献：
  名称：

  二，三和四核异羟肟酸锌络合物作为异羟肟酸抑制锌水解酶的结构模型。

  摘要：

  尝试生产结构模型配合物[M2（mu-O2CR）2（O2CR）2（mu-H2O）（tmen）2]的Zn类似物（M = Ni，Co，Mn； R = CH（3），C（ CH3）3，CF3）通过一系列羧酸锌与N，N，N'，N'-四甲基乙二胺（tmen）的反应生成单核络合物[Zn（OAc）（2）（tmen）]（1 ）和[Zn（crot）2（tmen）]。对于R = CH3和（CH）2CH3，分别为（0.5）H2O（2）和双核络合物[Zn（2）（mu-piv）（2）（ piv）（2）（mu-H2O）（tmen）2]（3）和[Zn2（mu-OAc（F））2（OAc（F））2（mu-H2O）（tmen）2]（4）对于R分别为C（CH 3）3和CF 3。与类似的咪唑系列相反，即[M2（mu-O2CR）2（O2CR）2（mu-H2O）（Im）4]（M = Ni，Co，Mn; R = CH3，C（CH3）3 ，

  DOI：

  10.1021/ic050849m

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.
• Dalton communications. A model complex for the carboxylate–histidine–zinc system in zinc enzymes. Crystal structure of [Zn(Him)₂(MeCO₂)₂](Him = imidazole)
  作者：Xiao-Ming Chen、Zhi-Tao Xu、Xiao-Chun Huang

  DOI：10.1039/dt9940002331

  日期：——

  The novel monomeric zinc(II) complex [Zn(Him)2(MeCO2)2] (Him = imidazole) has been prepared and structurally characterized; it is the first structural model for the carboxylate-histidine-zinc interactions frequently observed in zinc enzymes.