| 133792-80-0

• 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
• CAS: 133792-80-0
• 化学式: C₈H₉N₃OS₂
• 分子量: 227.311
• InChiKey: DLZUUHDWAXRDTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  咪唑 、 copper(II) perchlorate hexahydrate 、 以 乙醇 为溶剂， 以79%的产率得到
  参考文献：
  名称：

  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

  摘要：

  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.

  DOI：

  10.1016/s0277-5387(00)84210-2

文献信息

• Transition metal complexes of the schiff bases derived from S-alkyldithiocarbazate with 2-pyridinecarboxaldehyde N-oxide—II. Syntheses, properties and X-ray crystal structure of five-coordinate copper(II) complexes
  作者：Shaohua Gou、Xiaozeng You、Zheng Xu、Zhongyuan Zhou、Kaibe Yu

  DOI：10.1016/s0277-5387(00)81269-3

  日期：1991.1

  copper(II) complexes of deprotonated S-R-β-N-(pyridine N-oxide-2-ylmethylidene)dithiocarbazates (R = methyl, abbreviated SMPDH; R = benzyl, abbreviated SBPDH) with o-phenanthroline or 2,2′-bipyridine, were synthesized and characterized by UV, IR spectra and magnetic susceptibilities at room temperature. The X-ray crystal structure of [Cu(SBPD)Phen]ClO4, was determined. The crystal structure contains

  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。
• Preparation and x-ray crystal structure of deprotonated S-methyl-β-N-(pyridine N-oxide-2-ylmethylidene)dithiocarbazate pyridine nickel(II) perchlorate: [Ni(C8H8N3OS2)(C5H5N)]ClO4
  作者：Zhongyuan Zhou、Keibe Yu、Shaohua Gou、Xiaozeng You、Zheng Xu

  DOI：10.1016/s0277-5387(00)83544-5

  日期：1991.1

  A nickel(II) complex with S-methyl-beta-N-(pyridine N-oxide-2-ylmethylidene) dithiocarbazate (LH) and pyridine (Py) as ligands with the formula [NiLPy]ClO4 has been synthesized. The crystal structure has been determined by X-ray diffraction analysis. Sulphur, nitrogen and oxygen atoms of the tridentate ligand, as well as a nitrogen atom of one additive pyridine, adopt a planar conformation to produce the square planar geometry at each nickel atom. Magnetic susceptibility and IR spectra are interpreted in accordance with the proposed stereochemistry.
• 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.