H[Mn(1,4,8,11-tetraazacyclotetradecane)(pyridine-2,6-dicarboxylate)2]*H2O | 667466-38-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: H[Mn(1,4,8,11-tetraazacyclotetradecane)(pyridine-2,6-dicarboxylate)2]*H2O
• 英文别名: H[Mn(cyclam)(dipic)2]*H2O
• CAS: 667466-38-8
• 化学式: C₂₄H₃₀MnN₆O₈*H*H₂O
• 分子量: 604.499
• InChiKey: IEXODHQUAZTISZ-UHFFFAOYSA-K

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：

  pyridine-2,6-dicarboxylic acid, monosodium salt 、 trans-dichloro (1,4,8,11-tetraazacyclotetradecane) manganese(III) chloride 、 水 以 水 为溶剂， 以80%的产率得到H[Mn(1,4,8,11-tetraazacyclotetradecane)(pyridine-2,6-dicarboxylate)2]*H2O
  参考文献：
  名称：

  Pyridine-2,6-dicarboxylate and perchlorate bridged hydrogen bonded 1D chains involving manganese(III)-cyclam moiety: synthesis, X-ray crystal structures and magnetic study

  摘要：

  Two compounds H[Mn(cyclam)(pyridine-2,6-dicarboxylate)(2)](H2O)-H-. (1) and [Mn-III(cyclam)Cl-2]ClO4 (2) (where cyclam = 1,4,8,11-tetraazacyclotetradecane) have been synthesized and structurally characterized. The complex I crystallizes in the monoclinic space group P2(1)/c with a = 11.4328(11), b = 14.4275(14), c = 8.5782(9) Angstrom, V = 1343.1(2) Angstrom(3), Z = 2, R = 0.0453. Complex 1 is octahedral in which [Mn(cyclam)](3+) unit occupies the basal plane having two pyridine-2,6-dicarboxylate anions in the axial positions. Molecular packing of the crystal is dominated by string of molecules along the b-axis. The strings are held together by extensive intermolecular hydrogen bonds involving N-(HO)-O-..., N-(HN)-N-... and O-(HO)-O-... which impart it an infinite 1D chain. Complex 2 on the other hand crystallizes in the space group P2(1)2(1)2(1) (No. 19) of the orthorhombic system. Mn(III) ions occupy the center of a distorted octahedron and two chloride ions occupy the axial positions. The packing diagram of 2 reveals that the complex is percholrate-bridged hydrogen bonded ID chain along a-axis. Cyclic voltammogram of complex 1 shows a reduction wave at -0.25 V coupled to an oxidation wave at -0.05 V versus SCE in aqueous solution. The complex 2 is characterized by an irreversible reduction wave at -0.11 V versus SCE and is identical to that observed for [Mn-III(cyclam)Cl-2]Cl(.)5H(2)O. The magnetic measurements in the temperature range 1.9-300 K have been carried out for complex 1 which exhibits a very weak ferromagnetic interaction at low temperature. Complex 2 shows room temperature magnetic moment value of 4.92 BM consistent with the high spin d(4) electronic configuration. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00380-3