| 1614256-34-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• CAS: 1614256-34-6
• 化学式: C₄₂H₄₆Ag₂F₆N₂O₁₀S₆
• 分子量: 1260.96
• InChiKey: QJOCEZFLEBHKFO-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：

  2,4-Dioxa-12,16-dithiatricyclo[16.4.0.05,10]docosa-1(22),5,7,9,18,20-hexaene 、 silver trifluoromethanesulfonate 、 乙腈 以 二氯甲烷 为溶剂， 以11%的产率得到
  参考文献：
  名称：

  Interaction of silver(I) and copper(I) with an O2S2-macrocycle – A comparative structural study

  摘要：

  The 14-membered O2S2-macrocycle L reacts with AgPF6 in acetonitrile/dichloromethane (1: 1) to yield the cyclic, double S-Ag-S bridged complex, [Ag2L2(CH3CN)(4)](PF6)(2) (2), in which each Ag(I) is bound to two exo-oriented S donors arising from different macrocycles to form a 12-membered, di-Ag metallacycle. Two PF6 ions form weak intramolecular contacts [Ag center dot center dot center dot F, 2.925(2)angstrom] between the Ag centres in a bridging bidentate fashion. The coordination sphere of each Ag is completed by two weakly bound acetonitrile molecules. The respective macrocyclic ligands are arranged trans to the mean plane through the metallacycle. When the above synthetic procedure was repeated employing methanol/dichloromethane (1:1) as solvent, a complex of type [Ag2L2](PF6)(2) (3) was obtained whose structure incorporates a similar 12-membered metallacycle but with the respective macrocyclic rings now oriented towards the same side of the metallacyclic plane. The reaction of L with AgCF3SO3 yields [Ag2L2(CF3SO3)(2)]center dot 2CH(3)CN (4) whose structure resembles that of [Ag2L2(CH3CN)(4)] (PF6)(2) (2); each complex unit incorporates a di-Ag(I) 12-membered metallacycle, with symmetrical bridging bidentate CF3SO3 ions weakly linking Ag centres. Long Ag1 center dot center dot center dot Ag1C contacts are present between pairs of complex units. Reaction of Cu(CH3CN)(4)PF6 (one equiv.) with L in methanol/dichloromethane (1: 1) resulted in isolation of [CuL2]PF6 (5) incorporating a distorted tetrahedral S-4-coordination sphere, with each macrocycle binding as a bidentate ligand via its two (exo-orientated) S atoms. In contrast, reaction of [Cu(CH3CN)(4)]PF6 (two equiv.) with L in either acetonitrile/dichloromethane (1: 1) or methanol/dichloromethane (1: 1) yielded [Cu2L3]PF6 (6) in which the Cu(I) centres are bound exo to the macrocyclic cavity by individual S-donors from one L, with the coordination sphere of each Cu(I) completed by out-of-plane binding of the S2O donors from a second L. Unsymmetrical F center dot center dot center dot Cu contacts from a PF6 anion weakly link the pair of Cu centres in a bridging bidentate fashion. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.11.020