1-(2-pyridyl)-4-phenyl-1-amino-2,3-diaza-1,3-butadiene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(2-pyridyl)-4-phenyl-1-amino-2,3-diaza-1,3-butadiene
• 英文别名: N-[(E)-benzylideneamino]pyridine-2-carboxamidine；N'-[(E)-benzylideneamino]pyridine-2-carboximidamide
• 化学式: C₁₃H₁₂N₄
• 分子量: 224.265
• InChiKey: POYKETAEGMQINI-MHWRWJLKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 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：
  63.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  cadmium(II) perchlorate hexahydrate 、 1-(2-pyridyl)-4-phenyl-1-amino-2,3-diaza-1,3-butadiene 、 potassium thioacyanate 以 甲醇 为溶剂， 以87.5%的产率得到bis(μ-1,3-thiocyanato)(1-(2-pyridyl)-4-phenyl-1-amino-2,3-diaza-1,3-butadiene)cadmium(II)
  参考文献：
  名称：

  Four thiocyanato-bridged cadmium(II) polymeric complexes based on open chain diazine ligands

  摘要：

  One 1 D and three 3D thiocyanate cadmium(II) polymeric complexes with a series of open chain diazine Schiff bases as auxiliary bridging ligands have been synthesized and crystallographically characterized. In the 1D complex [Cd(L-1)(mu(1,3)-NCS)(4)](n) (1, L-1 = 1-(2-pyridyl)-4-phenyl-1-amino-2,3-diaza-1,3-butadiene), cadmium(II) ions are interlinked by double mu-1,3 thiocyanate ligands resulting in a 1D chain running along a direction. The three 3D complexes are isostructural with general formula of [Cd-2(L2-4)(mu(1,3)-NCS)(2)](n) (2-4, respectively, L-2 = 1,4-bis(2-pyridyl)-1,4-diamino-2,3-diaza-1,3-butadiene, L-3 = 1,4-bis(2-pyridyl)-1-amino-2,3-diaza-1,3-butadiene, L-4 = 1,4-bis(2-pyridyl)-1-amino-4-methyl-2,3-diaza-1,3-butadiene). In the complexes of 2-4, the double mu-1,3 thiocyanate ligands form a chain and the chains are further interlinked by single diazine ligands into a three-dimensional (10,3)-b net with each cadmium ion as a node. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2007.04.002