(1,10-diaza-18-crown-6-N,N',O,O')dichloromanganese(II) | 166759-40-6

• 英文名称: (1,10-diaza-18-crown-6-N,N',O,O')dichloromanganese(II)
• CAS: 166759-40-6
• 化学式: C₁₂H₂₆Cl₂MnN₂O₄
• 分子量: 388.193
• InChiKey: GIKCFPHRQSTQHN-UHFFFAOYSA-L

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：

  二氮杂18-冠醚-6 、 manganese(ll) chloride 以 乙醇 、 水 、 丙酮 为溶剂， 生成 (1,10-diaza-18-crown-6-N,N',O,O')dichloromanganese(II)
  参考文献：
  名称：

  Synthesis and crystal structure (1,10-diaza-18-crown-6-N,N′,O,O′)dichloromanganese(II)

  摘要：

  A new crystalline complex (1,10-diaza-18-crown-6-N,N',O,O')dichloromanganese(II) [MnCl2(DA18C6)] (I) is synthesized and studied by single-crystal X-ray diffraction. The structure of compound I (space group P2(1)/c, a = 11.827 angstrom, b = 7.580 angstrom, c = 19.715 angstrom, beta = 98.76 degrees, Z = 4) is solved by a direct method and refined by the full-matrix least-squares method in the anisotropic approximation to R = 0.026 for all 3055 independent measured reflections (CAD4 automated diffractometer, lambda MoK (alpha) radiation). The [MnCl2(DA18C6)] complex molecule in I is of the host-guest type: its Mn2+ cation is asymmetrically arranged in the cavity of the DA18C6 ligand and coordinated by its four heteroatoms, namely, the two N atoms and two O atoms, and by the two Cl- anions. The coordination polyhedron of the Mn2+ cation (six-coordination) may be described as a distorted pentagonal bipyramid with one unfilled vertex or as a distorted square pyramid with one split vertex at the two O atoms of the DA18C6 ligand. The DA18C6 ligand in I has an unusual asymmetric conformation. The complex molecules in a crystal of I are linked by a pair of N-H center dot center dot center dot Cl intermolecular hydrogen bonds into centrosymmetric dimers.

  DOI：

  10.1134/s0036023607020076