o-(1-methyl triazene-1-oxide)methyl thiobenzene | 152863-21-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: o-(1-methyl triazene-1-oxide)methyl thiobenzene
• CAS: 152863-21-3
• 化学式: C₈H₁₁N₃OS
• 分子量: 197.261
• InChiKey: BLOOKVKAAZSUNC-KHPPLWFESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.33
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  50.46
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  o-(1-methyl triazene-1-oxide)methyl thiobenzene 、 nickel(II) acetate tetrahydrate 以 乙醇 、 水 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Nickel complexes of tridentate ligands incorporating thioether and triazene-1-oxide functions. Synthesis, structure and metal redox

  摘要：

  The reaction of nickel(II) acetate with RN(O)NNHC6H4SMe (HL1: R = Me; HL2: R = Pr(n); general abbreviation HL) in aqueous ethanol affords [NiL2] as brown crystalline solids. The X-ray structure of [NiL22] is reported. Each ligand acts in the tridentate meridional SNO fashion. The Ni(SNO)2 coordination sphere is severely distorted from octahedral geometry. The Ni-S distances, 2.519(2) and 2.549(2) angstrom, constitute the longest nickel(II)-thioether bonds reported so far. Due to low symmetry, the octahedral nu1 band of the complexes are split into components lying at ca 1400 and 1000 nm. The complexes display quasireversible cyclic voltammograms corresponding to the metal redox couple [Ni(III)L2]+/[Ni(II)L2], E1/2 approximately 0.75 V (vs S.C.E.). Coulometrically generated [Ni(III)L2]+ displays rhombic EPR spectra, the g values of the perpendicular components being larger than that of the parallel component corresponding to the (d(z)2)1 ground state.

  DOI：

  10.1016/s0277-5387(00)83048-x

文献信息

• Ray, Debashis; Pal, Samudranil; Chakravorty, Animesh, Inorganic Chemistry, 1986, vol. 25, # 16, p. 2674 - 2676
  作者：Ray, Debashis、Pal, Samudranil、Chakravorty, Animesh

  DOI：——

  日期：——