[Mn(4-methylpyrazole)4(terephthalate)]n | 863031-55-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Mn(4-methylpyrazole)4(terephthalate)]n
• 英文别名: [Mn(4-methylpyrazole)4(tp)]n
• CAS: 863031-55-4
• 化学式: C₂₄H₂₈MnN₈O₄
• 分子量: 547.476
• InChiKey: MJVQSLVLSAOPAC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  4-甲基吡唑 、 manganese(II) acetate 、 potassium terephthalate 以 水 为溶剂， 以31%的产率得到[Mn(4-methylpyrazole)4(terephthalate)]n
  参考文献：
  名称：

  Hydrogen-bonded supramolecular manganese(II) complexes with network and sheet structures bridged by terephthalate unit

  摘要：

  Two ID complexes [Mn(4-methylpyrazole)(3)(H2O)(tp)](n) (2) and [Mn(4-methylpyrazole)(4)(tp)](n) (3) (tp = terephthalate) were synthesized and characterized by means of X-ray analysis and magnetic studies. The molecular structure of 2 reveals that Mn(II) centers with asymmetric coordination surroundings are bridged by crystallographically different tp ligands, forming a ID chain. The ID coordination chains are interconnected by hydrogen bonds between free carboxylate oxygen atoms in a chain and hydrogens of pyrazole nitrogen atoms in neighboring chains, leading to a 3D framework. Compound 3 also exhibits a 1D coordination chain which is hydrogen-bonded to adjacent chains, providing a 2D sheet structure. Interestingly, the structures include intra- and interchain hydrogen bonds contributed from N-H groups of the capping 4-methylpyrazole ligands. Magnetic measurements show weak antiferromagnetic interactions with exchange coupling parameters of J = -0.018 cm(-1) for 2 and J = -0.062 cm(-1) for 3 through the extended tp ligand on the basis of an infinite chain model (H = -J Sigma S-i (.) Si+1). (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.05.002