[Pt(2,6-bis(N-methylbenzimidazol-2-yl)pyridine)Cl](PF6)*DMF C3H7NO*C21H17ClN5Pt(1+)*F6P(1-), violet | 1013629-72-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: [Pt(2,6-bis(N-methylbenzimidazol-2-yl)pyridine)Cl](PF6)*DMF C3H7NO*C21H17ClN5Pt(1+)*F6P(1-), violet
• 英文别名: [Pt(Me2bzimpy)Cl](PF6)*DMF；[Pt(2,6-bis(N-methylbenzimidazol-2-yl)pyridine)Cl](PF6)*DMF；N,N-dimethylformamide;1-methyl-2-[6-(1-methylbenzimidazol-2-yl)pyridin-2-yl]benzimidazole;platinum(2+);chloride;hexafluorophosphate
• CAS: 1013629-72-5
• 化学式: C₃H₇NO*C₂₁H₁₇ClN₅Pt*F₆P
• 分子量: 787.991
• InChiKey: ZHWVWLONVCKSOW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.28
• 重原子数：
  40
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  [Pt(2,6-bis(N-methylbenzimidazol-2-yl)pyridine)Cl](PF₆) 、 N,N-二甲基甲酰胺 以 not given 为溶剂， 生成 [Pt(2,6-bis(N-methylbenzimidazol-2-yl)pyridine)Cl](PF6)*DMF C3H7NO*C21H17ClN5Pt(1+)*F6P(1-), violet
  参考文献：
  名称：

  Structure of a Crystalline Vapochromic Platinum(II) Salt

  摘要：

  Square-planar cations of the orange form of [Pt(Me(2)bzimpy)-Cl](PF6)center dot DMF [Me(2)bzimpy = 2,6-bis(N-methylbenzimidazol-2-yl)pyridine] stack along the b axis in a head-to-tail arrangement with short interplanar spacings (3.35 and 3.39 angstrom). Long intermolecular Pt center dot center dot center dot Pt contacts [4.336(2) and 4.565(2) angstrom] and comparatively short Me(2)bzimpy center dot center dot center dot Me(2)bzimpy distances are consistent with spectroscopic measurements for orange salts of Pt(Me(2)bzimpy)Cl+. The DMF solvent molecules line channels parallel to c, which may provide a conduit for vapor absorption. The crystals are vapochromic, changing from orange to violet upon exposure to acetonitrile vapor. The changes in spectroscopic properties accompanying vapor absorption are consistent with changes in intermolecular interactions between complexes.

  DOI：

  10.1021/ic701523e