[tetraphenylphosphonium]trans-[Ru(dimethylsulfoxide)(pyrazine)Cl4] | 952093-48-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [tetraphenylphosphonium]trans-[Ru(dimethylsulfoxide)(pyrazine)Cl4]
• 英文别名: Methylsulfinylmethane;pyrazine;tetrachlororuthenium(1-);tetraphenylphosphanium
• CAS: 952093-48-0
• 化学式: C₆H₁₀Cl₄N₂ORuS*C₂₄H₂₀P
• 分子量: 740.503
• InChiKey: QEXWDBBLEBXJOZ-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  7.53
• 重原子数：
  40
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  62.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  吡嗪 、 [Ph₃P(Ph)]⁺[trans-RuCl₄(Dmso)₂]^- 以 丙酮 、 乙腈 为溶剂， 以73%的产率得到[tetraphenylphosphonium]trans-[Ru(dimethylsulfoxide)(pyrazine)Cl4]
  参考文献：
  名称：

  Synthesis and characterization of ionic Ru(III) complexes containing dimethylsulfoxide and dinitrogen heterocyclic ligands

  摘要：

  Several new Ru(III) DMSO compounds including [PPh4]trans-[Ru(DMSO)(2)Cl-4], [PPh4]trans-[Ru(DMSO)(pyrazine)Cl-4] (2), [PPh4]trans-[Ru(DMSO)(4,4'-bipyridine)Cl-4] and [PPh4]trans-[Ru(DMSO)(pyrimidine)Cl-4] were reported and characterized. The crystal structure of 2 and its Na+ analogue were determined by X-ray diffraction methods. The PPh4+ complex 2 is a discrete ionic compound, while the compound [Na]trans-[Ru(DMSO)(pyrazine)Cl-4]center dot DMSO (3) crystallized with a molecule of DMSO. The environment around the Na atom is a distorted octahedron with short contacts with three chloro ligands, two O atoms from the bonded and unbonded DMSO molecules, and the unbonded N atom of the pyrazine ligand. The Na atoms form bridges between the complexed anions in 3 resulting in the formation of infinite chains or ribbons parallel to the b axis. The chains are held together by van der Waals interactions. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.03.041