N-(anthracen-9-ylmethylideneamino)-2-hydroxybenzamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: N-(anthracen-9-ylmethylideneamino)-2-hydroxybenzamide
• 化学式: C₂₂H₁₆N₂O₂
• 分子量: 340.381
• InChiKey: BXZDRKFRQXHTPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  nickel(II) chloride hexahydrate 、 N-(anthracen-9-ylmethylideneamino)-2-hydroxybenzamide 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以75%的产率得到
  参考文献：
  名称：

  Synthesis, spectroscopic studies, X-ray crystal structures, electrochemical properties and DFT calculations of three Ni(II) complexes of aroyl hydrazone ligands bearing anthracene moiety

  摘要：

  Two square planar Ni(II) complexes of general formula NiL2 and an octahedral Ni(II) complex of formula Ni(LH)(2)Cl-2 have been synthesized and characterized, where LH and L are protonated and deprotonated forms of bidentate hydrazone ligands. The spectroscopic and cyclic voltammetric studies of these complexes are also reported. X-ray crystal structure determination of the three complexes show that in two of the complexes Ni(II) have a N2O2 donor environment in a square planar geometry, while in the remaining one Ni(II) is in a distorted octahedral coordination environment of N2O2Cl2 donor atoms. The role of H-bonding interactions in determining the octahedral versus square planar geometry of Ni(II) is discussed. DFT calculations are used to understand the nature of the frontier orbitals. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.05.028
• 作为产物：
  描述：

  水杨酰肼 、 9-蒽甲醛 以 甲醇 为溶剂， 反应 3.0h， 以84%的产率得到N-(anthracen-9-ylmethylideneamino)-2-hydroxybenzamide
  参考文献：
  名称：

  Synthesis, spectroscopic studies, X-ray crystal structures, electrochemical properties and DFT calculations of three Ni(II) complexes of aroyl hydrazone ligands bearing anthracene moiety

  摘要：

  Two square planar Ni(II) complexes of general formula NiL2 and an octahedral Ni(II) complex of formula Ni(LH)(2)Cl-2 have been synthesized and characterized, where LH and L are protonated and deprotonated forms of bidentate hydrazone ligands. The spectroscopic and cyclic voltammetric studies of these complexes are also reported. X-ray crystal structure determination of the three complexes show that in two of the complexes Ni(II) have a N2O2 donor environment in a square planar geometry, while in the remaining one Ni(II) is in a distorted octahedral coordination environment of N2O2Cl2 donor atoms. The role of H-bonding interactions in determining the octahedral versus square planar geometry of Ni(II) is discussed. DFT calculations are used to understand the nature of the frontier orbitals. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.05.028