bis(μ-1,2-benzenedithiolato)-1κS,1:2κ(2)S';2κS,1:2κ(2)S'-bis[(2,2'-bipyrimidine-κ(2)N(1),N(1)')zinc] | 168564-40-7

• 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: bis(μ-1,2-benzenedithiolato)-1κS,1:2κ(2)S';2κS,1:2κ(2)S'-bis[(2,2'-bipyrimidine-κ(2)N(1),N(1)')zinc]
• 英文别名: dizinc;benzene-1,2-dithiolate;2-pyrimidin-2-ylpyrimidine
• CAS: 168564-40-7
• 化学式: C₂₈H₂₀N₈S₄Zn₂
• 分子量: 727.564
• InChiKey: HPBBFBVGQHBFNZ-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  4.86
• 重原子数：
  42
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  zinc(II) acetate dihydrate 、 2 2'-联嘧啶 、 1,2-苯二硫醇 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 以75%的产率得到bis(μ-1,2-benzenedithiolato)-1κS,1:2κ(2)S';2κS,1:2κ(2)S'-bis[(2,2'-bipyrimidine-κ(2)N(1),N(1)')zinc]
  参考文献：
  名称：

  A Mixed-Ligand Zinc(II) Complex Containing a Bridging Dithiolate Ligand

  摘要：

  The mixed-ligand Zn-II complex bis(mu-1,2-benzenedithiolato)- 1 kappa S, 1:2 kappa(2)S';2 kappa S, 1:2 kappa(2)S'-bis[(2,2'-bipyrimidine-kappa(2)N(1),N-1')zinc], [Zn-2(C6H4S2)(2)(C8H6N4)(2)]. containing benzenedithiolate (bdt) and 2,2'-bipyrimidine (bpyrm) has been synthesized and found to have the dinuclear formulation [Zn(bdt)(bpyrm)](2). The dinuclear complex has crystallographically imposed 1 symmetry with severely distorted square-pyramidal coordination about the metal atoms. One S atom of the bdt ligand bridges the Zn atoms in an asymmetric fashion [Zn S(1) 2.433 (3), Zn'-S(1) 2.475 (3) Angstrom] while the second S atom is bound in a terminal mode at a shorter distance [Zn-S(2) 2.303 (3) Angstrom]. The formation of a bdt-bridged rather than a bpyrm-bridged species may be favored by a significant pi-stacking interaction between the phenyl ring of the bdt ligand and one ring of the bpyrm ligand.

  DOI：

  10.1107/s0108270195001995