[Zn2(2,6-bis(N-2-(2'-pyridylethyl)formimidoyl)-4-methylphenol)(μ1,3-Pro)2](ClO4) | 479074-45-8

• 英文名称: [Zn2(2,6-bis(N-2-(2'-pyridylethyl)formimidoyl)-4-methylphenol)(μ1,3-Pro)2](ClO4)
• CAS: 479074-45-8
• 化学式: C₂₉H₃₃N₄O₅Zn₂*ClO₄
• 分子量: 747.835
• InChiKey: XDEKLYAAAODVCH-HGBKGWQLSA-J

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  2-(2-氨乙基)吡啶 、 zinc(II) propionate dihydrate 、 2,6-二甲酰-4-甲基苯酚 、 sodium perchlorate 以 甲醇 为溶剂， 以79%的产率得到[Zn2(2,6-bis(N-2-(2'-pyridylethyl)formimidoyl)-4-methylphenol)(μ1,3-Pro)2](ClO4)
  参考文献：
  名称：

  Synthesis and Structural Characterization of Di- and Tetranuclear Zinc Complexes with Phenolate and Carboxylate Bridges. Correlations between ¹³C NMR Chemical Shifts and Carboxylate Binding Modes

  摘要：

  Two di- and a tetranuclear zinc-carboxylate complexes with different coordination modes, [Zn2L(mu(1,3)-OAc)(2)](ClO4) (1), [Zn2L(mu(1,3)-Pro)(2)](ClO4) (2), and [Zn2L(mu(1,1)-HCO2)(mu(1,3)-HCO2)](2)(ClO4)(2) (3) (where L = 2,6-bis(N-2-(2'-pyridylethyl)-f ormimidoyl)-4-methylphenol, OAc = acetate, and Pro = propionate) have been synthesized. Their compositions and structures have been identified by elemental analyses, IR, NMR, and X-ray single-crystal diffraction. The cations in both 1 and 2 reveal that the two zinc ions are assembled by a phenolate and a pair of syn-syn mu(1,3)-carboxylate bridges with metal-metal distances of 3.281 and 3.331 Angstrom, respectively, and each polyhedron around the zinc ion is a slightly distorted trigonal bipyramid. Compound 3 is a tetranuclear complex consisting of two identical dinuclear subunits that connect to each other by the two formate groups. In each subunit, the pair of metal ions separated at 3.130(1) Angstrom is assembled by a phenolate oxygen from L, and a monodentate and a syn-syn bidentate formate bridges. The formate group displays a novel tridentate mode, namely, monodentate and syn-anti bidentate bridges. On the other hand, the solid-state C-13 NMR technique was employed to distinguish the different binding modes of acetate group in five-coordinate zinc complexes. The chemical shifts are as follows: chelating mode (ca. 184 ppm) > bidentate bridge (ca. 180 ppm) > monodentate bridge (ca. 176 ppm).

  DOI：

  10.1021/ic025806+