[Mn(2-(4-ethyl-4,5-dihydrooxazol-2-yl)phenolate)2(dicyanoamide)] | 1233400-74-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噁庚英
• 英文名称: [Mn(2-(4-ethyl-4,5-dihydrooxazol-2-yl)phenolate)2(dicyanoamide)]
• 英文别名: catena-[Mn(Etphox)2(μ-dca)]
• CAS: 1233400-74-2
• 化学式: C₂₄H₂₄MnN₅O₄
• 分子量: 501.424
• InChiKey: MZJVCHFQNIBHHU-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：
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• 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：

  2-(4-ethyl-4,5-dihydrooxazol-2-yl)phenol 、 manganese(II) chloride tetrahydrate 、 sodium dicyanamide 在 air 作用下， 以 甲醇 、 水 为溶剂， 以65.6%的产率得到[Mn(2-(4-ethyl-4,5-dihydrooxazol-2-yl)phenolate)2(dicyanoamide)]
  参考文献：
  名称：

  Synthesis, Structures, and Magnetism of Three 1D Mn^III Chains with Oxazoline-Based Ligands

  摘要：

  Three novel Mn-III polymers, Mn(phox)(2)(N-3)](n) (1), [Mn(Etphox)(2)(N-3)](n) (2), and [Mn(Etphox)(2)(C2N3)](n) (3), using achiral ligand Hphox (Hphox = 2-(4,5-dihydrooxazol-2-yl)phenol) and chiral ligand HEtphox (HEtphox = 2-(4-ethyl-4,5-dihydrooxazol-2-yl)phenol) were synthesized and structurally and magnetically characterized. All complexes are of 1D chain structures and form 2D frameworks by weak interactions. The adjacent 1D chains of complex 1 are connected by face-to-face.pi-pi interactions, C-H center dot center dot center dot pi interactions, and hydrogen bonding, which leads to the formation of a supramolecular 2D sheet structure. The three compounds show antiferromagnetic coupling between Mn-III ions. And compound 2 is a spin-canted weak ferromagnet with T-N=5.6 K, showing metamagnetic behavior with a two-step magnetic phase transition.

  DOI：

  10.1021/ic100006a