(E)-4-nitrobenzaldehyde 2-nitrophenylhydrazone | 845465-10-3

• 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: (E)-4-nitrobenzaldehyde 2-nitrophenylhydrazone
• 英文别名: 2-nitrobenzaldehyde 4-nitrophenylhydrazone；4-nitro-N-[(E)-(2-nitrophenyl)methylideneamino]aniline
• CAS: 845465-10-3
• 化学式: C₁₃H₁₀N₄O₄
• 分子量: 286.247
• InChiKey: VOBBFHNWDVKICX-NTEUORMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,5-二氯-1,2,3-二噻唑氯化物 、 (E)-4-nitrobenzaldehyde 2-nitrophenylhydrazone 在 2,4,6-三甲基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以37%的产率得到[(4-chloro-[1,2,3]dithiazol-5-ylidene)-(2-nitro-phenyl)-methyl]-(4-nitro-phenyl)-diazene
  参考文献：
  名称：

  4-氯-5 H -1,2,3-二噻唑的偶氮亚甲基衍生物的合成

  摘要：

  通过将Appel盐1与N-单取代的azo 2–4反应，可以合成4-氯-5 H -1,2,3-二噻唑5–7的未知偶氮衍生物。结果表明，它们可以转化为杂环化合物8-10。

  DOI：

  10.1002/jhet.5570410106
• 作为产物：
  描述：

  对硝基苯甲醛 、 2-硝基苯肼 以 甲醇 为溶剂， 反应 0.5h， 生成 (E)-4-nitrobenzaldehyde 2-nitrophenylhydrazone
  参考文献：
  名称：

  Three isomeric (E)-nitrobenzaldehyde nitrophenylhydrazones: chains of rings in isomorphous (E)-2-nitrobenzaldehyde 3-nitrophenylhydrazone and (E)-3-nitrobenzaldehyde 2-nitrophenylhydrazone, and centrosymmetric dimers in (E)-4-nitrobenzaldehyde 2-nitrophenylhydrazone

  摘要：

  The isomeric compounds (E)-2-nitrobenzaldehyde 3-nitrophenylhydrazone and (E)-3-nitrobenzaldehyde 2-nitrophenylhydrazone, both C13H10N4O4, are isomorphous and effectively isostructural, and in both, the molecules are disordered across centres of inversion in the space group P2(1)/c. The molecules are linked into complex chains of rings by N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds. In the isomeric compound (E)-4-nitrobenzaldehyde 2-nitrophenylhydrazone, the fully ordered molecules are linked by N-H center dot center dot center dot O hydrogen bonds into centrosymmetric dimers.

  DOI：

  10.1107/s0108270105028799

文献信息

• MAKI Y.; FURUTA T., SYNTHESIS, 1978, NO 5, 382-383
  作者：MAKI Y.、 FURUTA T.

  DOI：——

  日期：——
• Hydrogen-bonded sheets in (<i>E</i>)-2-nitrobenzaldehyde 4-nitrophenylhydrazone and a hydrogen-bonded framework structure in (<i>E</i>)-4-nitrobenzaldehyde 4-nitrophenylhydrazone
  作者：James L. Wardell、Janet M. S. Skakle、John N. Low、Christopher Glidewell

  DOI：10.1107/s0108270104028483

  日期：2005.1.15

  Molecules of (E)-2-nitrobenzaldehyde 4-nitrophenylhydrazone, C13H10N4O4, exhibit a strongly polarized molecular - electronic structure. The molecules are linked into sheets of some complexity, where pairs of hydrogen bonds act co-operatively to generate two independent substructures, each in the form of a chain of rings. In the isomeric compound ( E)- 4-nitrobenzaldehyde 4-nitrophenylhydrazone, the molecules exhibit orientational disorder; an extensive series of hydrogen bonds links the molecules into a continuous three-dimensional framework, whose formation is independent of the disorder.