2,6-diacetylpyridinebis(S-benzyldithiocarbazate) | 26174-69-6

• 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: 2,6-diacetylpyridinebis(S-benzyldithiocarbazate)
• CAS: 26174-69-6
• 化学式: C₂₅H₂₅N₅S₄
• 分子量: 523.771
• InChiKey: QITWRZKTWYUDQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.97
• 重原子数：
  34.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  62.33
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2,6-diacetylpyridinebis(S-benzyldithiocarbazate) 、 zinc(II) acetate dihydrate 以 乙醇 、 二氯甲烷 为溶剂， 以60%的产率得到[zinc(2,6-diacetylpyridinebis(S-benzyldithiocarbazate)(2-))]2
  参考文献：
  名称：

  The preparation of zinc(II) and cadmium(II) complexes of the pentadentate N3S2 ligand formed from 2,6-diacetylpyridine and S-benzyldithiocarbazate (H2SNNNS) and the X-ray crystal structure of the novel dimeric [Zn2(SNNNS)2] complex

  摘要：

  The pentadentate chelating agent, 2,6-diacetylpyridinebis(S-benzyldithiocarbazate) (H2SNNNS) reacts with zinc(II) and cadmium(II) ions forming stable complexes of empirical formula, [M(SNNNS)] (M=Zn2+, Cd2+; SNNNS2 =doubly deprotonated anionic form of the Schiff base). These complexes have been characterized by a variety of physico-chemical techniques. IR and H-1 NMR spectral evidence indicate that the Schiff base coordinates to the zinc(II) and cadmium(II) ions via the pyridine nitrogen atoms, the azomethine nitrogen atoms and the mercaptide sulfur atoms. The crystal and molecular structure of the zinc(II) complex has been determined by X-ray diffraction. The complex is a dimer in which the pyridine nitrogen atom,the azomethine nitrogen atom and the thiolate sulfur atom from one ligand coordinate to one of the zinc(II) ions whereas the azomethine and thiolate sulfur atoms from another ligand complete pentacoordination around the zinc(II) ion, the ligands being coordinated in their deprotonated forms. The coordination geometry about each zinc(II) can be considered as intermediate between a square-pyramid and trigonal-bipyramid. The cadmium(II) complex is also assigned with a dimeric structure. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2003.08.004

文献信息

• Dimeric nickel(II) and copper(II) complexes of the pentadentate N3S2 chelating agents derived from S-alkyl/aryl esters of dithiocarbazic acid
  作者：Aminul H. Mirza、Mohammad Akbar Ali、Paul V. Bernhardt、Izuddin Asri

  DOI：10.1016/j.poly.2014.07.033

  日期：2014.10

  dimer is five-coordinate, approximately square-pyramidal, with a CuN3S2 coordination core. In the dimeric nickel(II) complex, [Ni(dapsme)]2 (dapsme = doubly deprotonated form of the 2,6-diacetylpyridine Schiff base of S-methyldithiocarbazate), the Schiff base also coordinates with the two nickel(II) ions as pentadentate N3S2 chelating agent, but here the pyridine nitrogen atom of each ligand acts as

  摘要合成了螺旋二聚体铜（II）络合物[Cu（dapsbz）] 2（dapsbz = S-苄基二硫代咔唑的2,6-二乙酰基吡啶席夫碱的双去质子化形式），并对其结构进行了表征。二聚体中的每个席夫碱均充当带负电荷的N3S2五齿螯合剂，提供三个供体原子。吡啶氮原子，偶氮甲碱氮原子和硫醇盐硫原子形成一个铜离子，偶氮甲碱氮原子和硫醇盐硫原子形成第二个铜离子。二聚体中每个铜（II）离子采用的立体化学是具有CuN3S2配位核心的五配位，近似正方形的锥体。在二聚体镍（II）配合物中，[Ni（dapsme）] 2（dapsme = S-甲基二硫代氨基甲酸酯的2,6-二乙酰基吡啶席夫碱的双去质子化形式），Schiff碱还与两个镍（II）离子作为五齿N3S2螯合剂配位，但此处每个配体的吡啶氮原子均作为桥键供体原子。配体一个臂上的偶氮甲氮氮和硫醇盐硫原子与一个镍离子配位，而同一配体另一臂上的偶氮甲氮和硫醇盐硫原子与第二个镍原子配位。
• The preparation and characterization of seven-coordinate tin(IV) complexes of the 2,6-diacetylpyridine Schiff bases of S-alkyl/aryl-dithiocarbazates and the X-ray crystal structure of the [Sn(dapsme)I2] complex (dapsme=doubly deprotonated form of the 2,6-diacetylpyridine Schiff base of S-methyldithiocarbazate)
  作者：Mohammad Akbar Ali、Aminul Huq Mirza、Ai Ling Tan、Lim Kok Wei、Paul V Bernhardt

  DOI：10.1016/j.poly.2004.05.010

  日期：2004.7

  New tin(IV) complexes of empirical formula, Sn(SNNNS)I-2 (SNNNS = anionic form of the 2,6-diacetylpyridine Schiff bases of S-methyl- or S-benzyldithiocarbazate) have been prepared and characterized by a variety of physico-chemical techniques. The structure of Sn(dapsme)I-2 has been determined by single crystal X-ray crystallographic structural analysis. The complex has a seven-coordinate distorted pentagonal-bipyramidal geometry with the Schiff base coordinated to the tin(IV) ion as a dinegatively charged pentadentate chelating agent via the pyridine nitrogen atom, the two azomethine nitrogen atoms and the two thiolate sulfur atoms. The ligand occupies the equatorial plane and the iodo ligands are coordinated to the tin(IV) ion at axial positions. The distortion from an ideal pentagonal bipyramidal geometry is attributed to the restricted bite size of the pentadentate ligands. (C) 2004 Elsevier Ltd. All rights reserved.
• Ali, Mohammad Akbar; Mirza, Aminul Huq; Butcher, Ray J., Inorganica Chimica Acta, <hi>2001</hi>, vol. 320, p. 1 - 6
  作者：Ali, Mohammad Akbar、Mirza, Aminul Huq、Butcher, Ray J.、Tarafder, M. T. H.、Ali, Manaf A.

  DOI：——

  日期：——