2-cyano-N'-(2-methoxybenzylidene)acetohydrazide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-cyano-N'-(2-methoxybenzylidene)acetohydrazide
• 英文别名: 2-Cyano-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide；2-cyano-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
• 化学式: C₁₁H₁₁N₃O₂
• 分子量: 217.227
• InChiKey: WBBRGTDADMJTSI-MDWZMJQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  74.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  氰乙酰肼 、 邻甲氧基苯甲醛 以 甲醇 为溶剂， 反应 1.0h， 以79%的产率得到2-cyano-N'-(2-methoxybenzylidene)acetohydrazide
  参考文献：
  名称：

  Synthesis, Characterization and Crystal Structures of Hydrazone Compounds Derived from Cyanoacetohydrazide

  摘要：

  制备了两种新氢肼酮化合物，2-氰基-N-(3-乙氧基-2-羟基苯亚甲基)乙酰肼(1)和2-氰基-N-(2-甲氧基苯亚甲基)乙酰肼(2)，并通过元素分析、红外光谱、紫外可见光谱和单晶X射线测定进行了结构表征。化合物1以单斜晶系P21/c空间群结晶，单元胞参数为a = 19.573(7) Å, b = 9.620(4) Å，c = 13.731(5) Å，β = 110.372(4)º，体积V = 2423.8(15) ų，Z = 8，R1 = 0.1047，wR2 = 0.2767。化合物2同样以单斜晶系P21/c空间群结晶，单元胞参数为a = 4.503(2) Å，b = 10.066(3) Å，c = 24.435(3) Å，β = 95.29(2)º，体积V = 1103.0(5) ų，Z = 4，R1 = 0.0430，wR2 = 0.0978。该化合物的晶体由氢键和π···π相互作用稳定。

  DOI：

  10.14233/ajchem.2014.17637

文献信息

• Synthesis, Characterization and Crystal Structures of Hydrazone Compounds Derived from Cyanoacetohydrazide
  作者：Wei-Ming Zhang、Shao-Song Qian、Zhonglu You

  DOI：10.14233/ajchem.2014.17637

  日期：——

  Two new hydrazone compounds, 2-cyano-N-(3-ethoxy-2-hydroxybenzylidene)acetohydrazide (1) and 2-cyano-N-(2-methoxybenzylidene)-acetohydrazide (2), were prepared and structurally characterized by elemental analysis, IR and UV-visible spectra and single crystal X-ray determination. Compound 1 crystallizes as monoclinic space group P21/c, with unit cell dimensions a = 19.573(7) Å, b = 9.620(4) Å, c = 13.731(5) Å, b = 110.372(4)º, V = 2423.8(15) Å3, Z = 8, R1 = 0.1047 and wR2 = 0.2767. Compound 2 crystallizes as monoclinic space group P21/c, with unit cell dimensions a = 4.503(2) Å, b = 10.066(3) Å, c = 24.435(3) Å, b = 95.29(2)º, V = 1103.0(5) Å3, Z = 4, R1 = 0.0430 and wR2 = 0.0978. Crystal of the compounds are stabilized by hydrogen bonds and p···p interactions.

  制备了两种新氢肼酮化合物，2-氰基-N-(3-乙氧基-2-羟基苯亚甲基)乙酰肼(1)和2-氰基-N-(2-甲氧基苯亚甲基)乙酰肼(2)，并通过元素分析、红外光谱、紫外可见光谱和单晶X射线测定进行了结构表征。化合物1以单斜晶系P21/c空间群结晶，单元胞参数为a = 19.573(7) Å, b = 9.620(4) Å，c = 13.731(5) Å，β = 110.372(4)º，体积V = 2423.8(15) ų，Z = 8，R1 = 0.1047，wR2 = 0.2767。化合物2同样以单斜晶系P21/c空间群结晶，单元胞参数为a = 4.503(2) Å，b = 10.066(3) Å，c = 24.435(3) Å，β = 95.29(2)º，体积V = 1103.0(5) ų，Z = 4，R1 = 0.0430，wR2 = 0.0978。该化合物的晶体由氢键和π···π相互作用稳定。