N-(2,4,6-Trichlor-phenyl)-salicylaldehydimin | 20771-83-9

• 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: N-(2,4,6-Trichlor-phenyl)-salicylaldehydimin
• 英文别名: 2-((2,4,6-Trichloro-phenylimino)-methyl)-phenol；2-[(2,4,6-trichlorophenyl)iminomethyl]phenol
• CAS: 20771-83-9
• 化学式: C₁₃H₈Cl₃NO
• 分子量: 300.572
• InChiKey: YDRZYEMILXPXEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [Ni(2,4,4,9-tetramethyl-1,5,9-triazacyclododec-1-ene)(μ-OH)]2(ClO4)2 、 N-(2,4,6-Trichlor-phenyl)-salicylaldehydimin 以 甲醇 为溶剂， 生成 [Ni(2,4,4,9-tetramethyl-1,5,9-triazacyclododec-1-ene)(OC6H4CH=NC6H2-2,4,6-Cl3)](ClO4)
  参考文献：
  名称：

  Synthesis and spectroscopic characterization of five-coordinate complexes of Ni2+ based on N3-macrocycles and salicylaldiminates. Crystal structure of [Ni(9-Me-N3-mc)(OC6H4CHNC6H5-o)](ClO4) (9-Me-N3-mc=2,4,4,9-tetramethyl-1,5,9-triazacyclododec-1-ene)

  摘要：

  Five-coordinate nickel(II) complexes of the type [Ni(N-3-macrocycle) (OC6H4CH=NR-o)](+) (N-3-macrocycle=2,4,4-trimethyl-1,5,9-triazacyclododec-1-ene, N-3-mc, or its 9-methyl derivative, 9-Me-N-3-mc) have been prepared by reaction between [{Ni-3(N-3-macrocycle) (mu-OH)}(2)](+) and the appropriate arylsalicylaldimine. An X-ray diffraction study carried out with the complex [Ni(9-Me-N-3-mc)(OC6H4CH=NC6H5-o)](ClO4) has established that the Ni atom presents a square pyramidal coordination and is displaced 0.30 A out of the basal plane towards the apical N1 atom (a=8.552(2), b=33.398(3), c=9.630(3) Angstrom, beta=91.67(1)degrees, monoclinic, space group P2(1)/a, V=2749(1) Angstrom(3), Z=4, D-calc=1.40 g cm(-3), R=0.058, R(w)=0.066). These paramagnetic species have been studied by H-1 NMR, The characteristic pattern of N-3-mc and 9-Me-N-3-mc has been established and the specific assigment of salicylaldimine resonances has been achieved by NOE measurements. The solution electronic spectra of the complexes are also suggestive of five-coordinate geometry in solution.

  DOI：

  10.1016/s0020-1693(96)05199-7

文献信息

• Synthesis and spectroscopic characterization of five-coordinate complexes of Ni2+ based on N3-macrocycles and salicylaldiminates. Crystal structure of [Ni(9-Me-N3-mc)(OC6H4CHNC6H5-o)](ClO4) (9-Me-N3-mc=2,4,4,9-tetramethyl-1,5,9-triazacyclododec-1-ene)
  作者：M.Dolores Santana、Antonio Rufete、Gregorio Sánchez、Gabriel Garcı́a、Gregorio López、Jaume Casabó、Elı́es Molins、Carles Miravitlles

  DOI：10.1016/s0020-1693(96)05199-7

  日期：1997.2

  Five-coordinate nickel(II) complexes of the type [Ni(N-3-macrocycle) (OC6H4CH=NR-o)](+) (N-3-macrocycle=2,4,4-trimethyl-1,5,9-triazacyclododec-1-ene, N-3-mc, or its 9-methyl derivative, 9-Me-N-3-mc) have been prepared by reaction between [Ni-3(N-3-macrocycle) (mu-OH)}(2)](+) and the appropriate arylsalicylaldimine. An X-ray diffraction study carried out with the complex [Ni(9-Me-N-3-mc)(OC6H4CH=NC6H5-o)](ClO4) has established that the Ni atom presents a square pyramidal coordination and is displaced 0.30 A out of the basal plane towards the apical N1 atom (a=8.552(2), b=33.398(3), c=9.630(3) Angstrom, beta=91.67(1)degrees, monoclinic, space group P2(1)/a, V=2749(1) Angstrom(3), Z=4, D-calc=1.40 g cm(-3), R=0.058, R(w)=0.066). These paramagnetic species have been studied by H-1 NMR, The characteristic pattern of N-3-mc and 9-Me-N-3-mc has been established and the specific assigment of salicylaldimine resonances has been achieved by NOE measurements. The solution electronic spectra of the complexes are also suggestive of five-coordinate geometry in solution.