4-(4-chlorobenzylidenehydrazonomethyl)benzonitrile | 1126433-51-9

• 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: 4-(4-chlorobenzylidenehydrazonomethyl)benzonitrile
• 英文别名: 4-cyano-4'-chlorobenzalazine
• CAS: 1126433-51-9
• 化学式: C₁₅H₁₀ClN₃
• 分子量: 267.717
• InChiKey: KQTXDTKCEOIKSN-XOBNHNQQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  48.51
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  4-(hydrazonomethyl)benzonitrile 、 4-氯苯甲醛 以 乙醇 为溶剂， 反应 1.0h， 生成 4-(4-chlorobenzylidenehydrazonomethyl)benzonitrile
  参考文献：
  名称：

  4-(4-Chlorobenzylidenehydrazonomethyl)benzonitrile and the bromo and iodo analogs

  摘要：

  4-Cyano-4'-chlorobenzalazine [systematic name: 4-(4-chlorobenzylidenehydrazonomethyl)benzonitrile], C15H10ClN3, occurs in two polymorphs. Polymorph A is isostructural with the corresponding dichloro compound. Polymorph B is isostructural with the bromo and iodo analogs, viz. C15H10BrN3 and C15H10IN3, respectively. The latter three structures all have approximately linear C-N center dot center dot center dot X-C intermolecular contacts in which the N center dot center dot center dot X contact distances are longer than those in the corresponding benzylideneanilines.

  DOI：

  10.1107/s0108270107065171

文献信息

• 4-(4-Chlorobenzylidenehydrazonomethyl)benzonitrile and the bromo and iodo analogs
  作者：Charles R. Ojala、William H. Ojala、Doyle Britton

  DOI：10.1107/s0108270107065171

  日期：2008.2.15

  4-Cyano-4'-chlorobenzalazine [systematic name: 4-(4-chlorobenzylidenehydrazonomethyl)benzonitrile], C15H10ClN3, occurs in two polymorphs. Polymorph A is isostructural with the corresponding dichloro compound. Polymorph B is isostructural with the bromo and iodo analogs, viz. C15H10BrN3 and C15H10IN3, respectively. The latter three structures all have approximately linear C-N center dot center dot center dot X-C intermolecular contacts in which the N center dot center dot center dot X contact distances are longer than those in the corresponding benzylideneanilines.