9-(trichloroacetylimino)acridine | 93944-51-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 9-(trichloroacetylimino)acridine
• 英文别名: N-acridin-9(10H)ylidene-2,2,2-trichloroacetamide；N-acridin-9-yl-2,2,2-trichloroacetamide
• CAS: 93944-51-5
• 化学式: C₁₅H₉Cl₃N₂O
• 分子量: 339.608
• InChiKey: VGGIPCOTCBCUBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  氨基吖啶	aminacrine	90-45-9	C13H10N2	194.236

反应信息

• 作为产物：
  描述：

  氨基吖啶 、 三氯乙酸 在 三甲胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 9-(trichloroacetylimino)acridine
  参考文献：
  名称：

  9-(Trichloroacetylimino)acridine monohydrate

  摘要：

  The title compound, alternatively called N-acridin-9(10H)ylidene-2,2,2-trichloroacetamide monohydrate, C15H9Cl3N2O.-H2O, crystallizes in space group P2(1)/c with Z = 4. The acridine moieties are arranged in layers, tilted at an angle of 15.20 (4)degrees relative to the ac plane, while adjacent molecules pack in a head-to-tail manner. Acridine and water molecules form columns along the b axis held in place by a network of hydrogen bonds, which is the major factor stabilizing the lattice. The acridine molecule exhibits structural features of both the amino and imino forms, which could be due to the presence of the strong electronegative trichloroacetyl substituent at the exocyclic N atom.

  DOI：

  10.1107/s0108270102010399

文献信息

• 9-(Trichloroacetylimino)acridine monohydrate
  作者：Joanna Meszko、Karol Krzymiński、Antoni Konitz、Jerzy Błażejowski

  DOI：10.1107/s0108270102010399

  日期：2002.8.15

  The title compound, alternatively called N-acridin-9(10H)ylidene-2,2,2-trichloroacetamide monohydrate, C15H9Cl3N2O.-H2O, crystallizes in space group P2(1)/c with Z = 4. The acridine moieties are arranged in layers, tilted at an angle of 15.20 (4)degrees relative to the ac plane, while adjacent molecules pack in a head-to-tail manner. Acridine and water molecules form columns along the b axis held in place by a network of hydrogen bonds, which is the major factor stabilizing the lattice. The acridine molecule exhibits structural features of both the amino and imino forms, which could be due to the presence of the strong electronegative trichloroacetyl substituent at the exocyclic N atom.