3,3'-[2,2'-(ethylenedioxy)dibenzylidene]bis(S-methyl dithiocabazate)

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,3'-[2,2'-(ethylenedioxy)dibenzylidene]bis(S-methyl dithiocabazate)
• 英文别名: methyl N-[(Z)-[2-[2-[2-[(Z)-(methylsulfanylcarbothioylhydrazinylidene)methyl]phenoxy]ethoxy]phenyl]methylideneamino]carbamodithioate
• 化学式: C₂₀H₂₂N₄O₂S₄
• 分子量: 478.684
• InChiKey: SSWSCAFAPVINOA-JZTLMNBPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  182
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  肼基二硫代甲酸甲酯 、 2-[2-(2-甲烷酰苯氧基)乙氧基]苯甲醛 以 乙醇 为溶剂， 反应 3.0h， 生成 3,3'-[2,2'-(ethylenedioxy)dibenzylidene]bis(S-methyl dithiocabazate)
  参考文献：
  名称：

  {3,3′-[2,2′-(Ethylenedioxy)dibenzylidene]bis(S-methyl dithiocarbazate)}nickel(II)

  摘要：

  The tetradentate N2S2 Schiff base ligand 3,3'-[2,2'-(ethylenedioxy)dibenzylidene]bis(S-methyl dithiocarbazate) (H2L), prepared by the condensation of S-methyl dithiocarbazate with 1,4-bis(2-formylphenyl)-1,4-dioxabutane in a 1:2 molar ratio, reacts with nickel acetate to form the title neutral metal complex, [Ni(C20H20N4O2S4)]. The X-ray structure of the complex shows a distorted square-planar geometry around the Ni atom. The monomeric units are weakly associated into dimers via a long Ni . . .S interaction [3.569 (1) Angstrom]. These dimeric units are then linked by C-H . . .S intermolecular contacts to form a polymeric chain along the a axis.

  DOI：

  10.1107/s0108270101001585

文献信息

• {3,3′-[2,2′-(Ethylenedioxy)dibenzylidene]bis(<i>S</i>-methyl dithiocarbazate)}nickel(II)
  作者：Jie-Ying Wu、Suchada Chantrapromma、Dong-Wen Chen、Yu-Peng Tian、Ping Yang、Hoong-Kun Fun

  DOI：10.1107/s0108270101001585

  日期：2001.5.15

  The tetradentate N2S2 Schiff base ligand 3,3'-[2,2'-(ethylenedioxy)dibenzylidene]bis(S-methyl dithiocarbazate) (H2L), prepared by the condensation of S-methyl dithiocarbazate with 1,4-bis(2-formylphenyl)-1,4-dioxabutane in a 1:2 molar ratio, reacts with nickel acetate to form the title neutral metal complex, [Ni(C20H20N4O2S4)]. The X-ray structure of the complex shows a distorted square-planar geometry around the Ni atom. The monomeric units are weakly associated into dimers via a long Ni . . .S interaction [3.569 (1) Angstrom]. These dimeric units are then linked by C-H . . .S intermolecular contacts to form a polymeric chain along the a axis.