3,14-dimethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosane;nickel(2+);diisothiocyanate | 209162-82-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3,14-dimethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosane;nickel(2+);diisothiocyanate
• CAS: 209162-82-3
• 化学式: C₂₂H₄₀N₆NiS₂
• 分子量: 511.422
• InChiKey: TXAUHGIMRHRJJY-UHFFFAOYSA-N

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：

  (3,14-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane-N,N',N'',N''')nickel(II) dichloride dihydrate 、 potassium thioacyanate 以 甲醇 为溶剂， 以75%的产率得到3,14-dimethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosane;nickel(2+);diisothiocyanate
  参考文献：
  名称：

  Axial additions in nickel(II) complexes of 3,14-dimethyl-2,6,13,17-tetraazatricyclo[14,4,01.18,07.12]docosane: syntheses and crystal structures of the octahedral nickel(II) complexes

  摘要：

  The complex [NiL]Cl-2 . 2H(2)O (L = 3,14-dimethyl-2,6,13,17-tetraazatricyclo[14,4,0(1.18),0(7.12)]docosane) undergoes axial additions with monodentate ligands (X = N-3(-), NCS-). The octahedral [NiLX2] complexes have been characterised and structures established by X-ray crystallography. The crystal structures of [NIL(N-3)(2)] 1 and [NiL(NCS)(2)] 2 show that both structures are centrosymmetric and the nickel centre has an axially elongated octahedral geometry with two nitrogen atoms of the axial ligands. Electronic spectra and redox potentials of the complexes also reveal a high-spin octahedral geometry, which is reflected by the nature of the axial ligands. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(97)00393-8