2-[7,15,19-Tris(cyanomethyl)-3,7,15,19,25,26-hexazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaen-3-yl]acetonitrile | 881392-51-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-[7,15,19-Tris(cyanomethyl)-3,7,15,19,25,26-hexazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaen-3-yl]acetonitrile
• CAS: 881392-51-4
• 化学式: C₂₈H₃₄N₁₀
• 分子量: 510.645
• InChiKey: UGYKWTVEZQALME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  134
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  manganese(II) bromide tetrahydrate 、 2-[7,15,19-Tris(cyanomethyl)-3,7,15,19,25,26-hexazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaen-3-yl]acetonitrile 、 乙腈 以 乙腈 为溶剂， 以41%的产率得到
  参考文献：
  名称：

  Mn(II) azamacrocyclic bromide complexes with different nuclearities

  摘要：

  The coordination behaviour of a series of pyridyl azamacrocyclic ligands, some of them containing cyanomethyl and cyanoethyl pendant-arms, towards Mn(II) ion was studied. All the complexes were characterized by microanalysis, LSI mass spectrometry, IR, UV-Vis spectroscopy and magnetic measurements. Crystal structures of [MnL1][MnBr4] (1), [MnL3][MnBr4] center dot 2CH(3)CN (3), [(Mn2LBr4)-Br-5] center dot 2CH(3)CN (5) and [(Mn2LBr4)-Br-6] (6) complexes have been determined. The X-ray studies show the presence of an ionic mixed octahedral-tetrahedral complex for 1 and 2, with the manganese ion of the cation complex, endomacrocyclicly coordinated by the six nitrogen donor atoms from the macrocyclic backbone in a distorted octahedral geometry. Instead, the complexes 5 and 6 are dinuclear, and both manganese ions are coordinated by one pyridinic and two amine nitrogen atoms from the macrocyclic backbone and two bromide ions, being the geometry around the metal better described as distorted square pyramidal. In all cases, the nitrile pendant-arms do not show coordination to the metal ion. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.02.026

文献信息

• Different Nuclearity Silver(I) Complexes with Novel Tetracyano Pendant-Armed Hexaazamacrocyclic Ligands
  作者：María del Carmen Fernández-Fernández、Rufina Bastida、Alejandro Macías、Paulo Pérez-Lourido、Laura Valencia

  DOI：10.1021/ic051627r

  日期：2006.3.1

  A new series of different nuclearity silver(I) complexes with a variety of tetracyano pendant-armed hexaazamacrocyclic ligands containing pyridine rings (L-n) has been prepared starting from the nitrate and perchlorate Ag(I) salts in acetonitrile solutions. The ligands and complexes were characterized by microanalysis, conductivity measurements, IR, Raman, electronic absorption and emission spectroscopy, and L-SIMS spectrometry. H-1 NMR titrations were employed to investigate silver complexation by ligands L-3 and L.(4) The compounds [Ag2L2(NO3)(2)] (2), ([Ag2L2]-(ClO4)(2).2CH(3)CN)(infinity) (4), [AgL3](ClO4)center dot CH3CN (5), and [Ag-4(L-4)(2)(NO3)(2)](NO3)(2)center dot 4CH(3)CN center dot 2H(2)O (7) were also characterized by single-crystal X-ray diffraction. The complexes have different nuclearities. Complex 2 is dinuclear with an AgN3O2} core and a significant intermetallic interaction, whereas complex 4 has a polymeric structure formed by dinuclear distorted AgN4} units joined by nitrile pendant arms. Compound 5 is mononuclear with a distorted AgN2} linear geometry, and complex 7 consists of discrete units of a tetranuclear array of silver atoms with AgN3O} and AgN4} cores in distorted square planar environments. Complexes 2 and 4 were found to be fluorescent in the solid state at room temperature because of the Ag-Ag interactions.