S-benzyl-β-N-(pyridine-N-oxide-2-ylmethylidene)dithiocarbazate | 133792-81-1

• 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: S-benzyl-β-N-(pyridine-N-oxide-2-ylmethylidene)dithiocarbazate
• CAS: 133792-81-1
• 化学式: C₁₄H₁₃N₃OS₂
• 分子量: 303.409
• InChiKey: ZSVGUGWITYWXMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.87
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  51.66
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 S-benzyl-β-N-(pyridine-N-oxide-2-ylmethylidene)dithiocarbazate 在 2,2'-bipyridyl 作用下， 以 乙醇 为溶剂， 以67%的产率得到(S-benzyl-β-N-(pyridine-N-oxide-2-ylmethylidene)dithiocarbazato)(2,2'bipyridine)copper(II) perchlorate
  参考文献：
  名称：

  衍生自S-烷基二硫代氨基甲酸酯的席夫碱与2-吡啶羧甲醛N-氧化物-II的席夫碱的过渡金属配合物。五配位铜（II）配合物的合成，性质和X射线晶体结构

  摘要：

  去质子化的SR-β-N-（吡啶N-氧化物-2-基亚甲基）二硫代氨基甲酸酯的五配位铜（II）配合物（R =甲基，缩写为SMPDH; R =苄基，缩写为SBPDH）与邻菲咯啉或2，合成了2'-联吡啶，并在室温下通过UV，IR光谱和磁化率表征。确定了[Cu（SBPD）Phen] ClO 4的X射线晶体结构。晶体结构包含一个单核单元，其中铜（II）显示出扭曲的方形锥体形状。

  DOI：

  10.1016/s0277-5387(00)81269-3

文献信息

• Transition metal complexes of the Schiff bases derived from S-alkyldithiocarbazate with 2-pyridinecarboxaldehyde N-oxide-III. Syntheses, properties and structures of mononuclear nickel(II) complexes
  作者：Shaohua Gou、Xiaozeng You、Zheng Xu、Zhongyuan Zhou、Kaibe Yu

  DOI：10.1016/s0277-5387(00)86164-1

  日期：——

  A series of mononuclear nickel(II) complexes of two tridentate ligands, S-methyl- and S-benzyl-beta-N-(pyridine N-oxide-2-ylmethylidene)dithiocarbazate (SMPDH and SBPDH), were prepared and their magnetic properties, electronic and IR spectra were obtained. Both square planar and octahedral configurations were defined among these complexes. The crystal structure of [Ni(SMPD)ImH]ClO4 was determined by X-ray diffraction, and showed that the nickel atom lies in a square planar coordination environment.
• Transition metal complexes of the Schiff bases derived from S-alkyldithiocarbazate with 2-pyridinecarboxaldehyde N-oxide—I. Synthesis, properties and structure of four-coordinate copper(II) complexes
  作者：Shaohua Gou、Xiaozeng You、Zheng Xu、Kaibe Yu、Zhongyuan Zhou

  DOI：10.1016/s0277-5387(00)84210-2

  日期：1990.1

  Two new Schiff bases (SMPDH and SBPDH) of S-methyl- and S-benzyl-dithiocarbazate with 2-pyridinecarboxaldehyde N-oxide were prepared and confirmed by elemental analyses and IR spectra. Four copper(II) complexes of the above two Schiff base ligands with imidazole and pyridine were obtained and characterized spectroscopicaly. The crystal structure of [Cu(SMPD)ImH]ClO4 was determined by X-ray diffraction analysis. The geometry of the copper atoms in these complexes is square planar with an unsymmetrical environment.