atbhz | 549518-51-6

• 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: atbhz
• 英文别名: 4-tert-butyl-N-(propan-2-ylideneamino)benzamide
• CAS: 549518-51-6
• 化学式: C₁₄H₂₀N₂O
• 分子量: 232.326
• InChiKey: YFZNOYMXSJOUMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  对叔丁基苯甲酰肼 、 丙酮 以 乙醇 为溶剂， 生成 atbhz
  参考文献：
  名称：

  Effect of ligand substituents on supramolecular self-assembly and electrochemical properties of copper(II) complexes with benzoylhydrazones: X-ray crystal structures and cyclic voltammetry

  摘要：

  Complexation of copper(II) with a series of hetero-donor chelating Schiff bases (HLLR) of para-substituted benzhydrazides (with R = OH, NO2, CH3O, Cl and tert-butyl substituents) and acetone affords mononuclear [Cu(LLR)(2)] molecules: 1 [Cu(anbhz)(2)] (R = NO2); 2 [Cu(ahbhz)(2)] (R = OH) 3 [Cu(ambhz)(2)] (R = CH3O); 4 [Cu(acbhz)(2)] (R = Cl); and 5 [Cu(atbhz)(2)] (R = tert-butyl). Single-crystal X-ray diffraction results for 2-5 reveal their various supramolecular architectures including 1D and 2D dimensionalities. A detailed analysis of crystal structures allows to gain insight into intermolecular interactions accountable for self-assembly into different networks as well as for various physicochemical properties of the compounds. The major interactions include O-H center dot center dot center dot N hydrogen bonds (2) as well as CH center dot center dot center dot N and axial Cu center dot center dot center dot O (3); pi center dot center dot center dot pi stacking (4) and van der Waals CH center dot center dot center dot C interactions (5). All compounds are characterized by elemental analyses; IR and UV-Vis spectroscopy as well as magnetic susceptibility and cyclic voltammetry measurements. Electrochemical studies reveal the dependence of [Cu(LLR)(2)]/[Cu(LLR)(2)](-) reduction potentials on substituents of benzoylhydrazonoate ligands. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.02.007

文献信息

• Effect of ligand substituents on supramolecular self-assembly and electrochemical properties of copper(II) complexes with benzoylhydrazones: X-ray crystal structures and cyclic voltammetry
  作者：Dariusz Matoga、Janusz Szklarzewicz、Wojciech Nitek

  DOI：10.1016/j.poly.2012.02.007

  日期：2012.4

  Complexation of copper(II) with a series of hetero-donor chelating Schiff bases (HLLR) of para-substituted benzhydrazides (with R = OH, NO2, CH3O, Cl and tert-butyl substituents) and acetone affords mononuclear [Cu(LLR)(2)] molecules: 1 [Cu(anbhz)(2)] (R = NO2); 2 [Cu(ahbhz)(2)] (R = OH) 3 [Cu(ambhz)(2)] (R = CH3O); 4 [Cu(acbhz)(2)] (R = Cl); and 5 [Cu(atbhz)(2)] (R = tert-butyl). Single-crystal X-ray diffraction results for 2-5 reveal their various supramolecular architectures including 1D and 2D dimensionalities. A detailed analysis of crystal structures allows to gain insight into intermolecular interactions accountable for self-assembly into different networks as well as for various physicochemical properties of the compounds. The major interactions include O-H center dot center dot center dot N hydrogen bonds (2) as well as CH center dot center dot center dot N and axial Cu center dot center dot center dot O (3); pi center dot center dot center dot pi stacking (4) and van der Waals CH center dot center dot center dot C interactions (5). All compounds are characterized by elemental analyses; IR and UV-Vis spectroscopy as well as magnetic susceptibility and cyclic voltammetry measurements. Electrochemical studies reveal the dependence of [Cu(LLR)(2)]/[Cu(LLR)(2)](-) reduction potentials on substituents of benzoylhydrazonoate ligands. (c) 2012 Elsevier Ltd. All rights reserved.