[(η5-pentametylcyclopentadienyl)iridium(III)dichloride(2-mercaptobenzimidazole)] methanol monosolvate | 1257338-93-4

• 英文名称: [(η5-pentametylcyclopentadienyl)iridium(III)dichloride(2-mercaptobenzimidazole)] methanol monosolvate
• 英文别名: [(Cp*)IrCl2(H2bimt)]
• CAS: 1257338-93-4
• 化学式: CH₄O*C₁₇H₂₁Cl₂IrN₂S
• 分子量: 580.601
• InChiKey: GUYXPMGLORUUNB-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  甲醇 、 [(η5-pentamethylcyclopentadienyl)iridium(III)dichloride]2 、 1H-苯并咪唑-2-硫醇 以 甲醇 为溶剂， 以81%的产率得到[(η5-pentametylcyclopentadienyl)iridium(III)dichloride(2-mercaptobenzimidazole)] methanol monosolvate
  参考文献：
  名称：

  Syntheses and crystal structures of mononuclear and dinuclear (pentamethylcyclopentadienyl)iridium(III) complexes containing 2-mercaptobenzimidazole

  摘要：

  A reaction of [Cp*IrCl(2)](2) {Cp* = eta(5)-C(5)(CH(3))(5)}and 2-mercaptobenzimidazole (H(2)bimt) in methanol in a 1:2 molar ratio gave a yellow complex of [Cp*IrCl(2)(H(2)bimt)]center dot CH(3)OH (1). In compound 1 the H(2)bimt acts as a monodentately S-donating (kappa S) ligand. A similar reaction of [Cp*IrCl(2)](2) and H(2)bimt in the presence of NaOCH(3) (molar ratio of 1:2:2) gave an orange product (2) on addition of excess amount of NH(4)PF(6). Compound 2 was composed of an unsymmetrical dinuclear complex cation, [(Cp*IrCl)(2)(mu-Hbimt)(mu-H(2)bimt)](+), a PF(6) anion, and water molecules of crystallization. In the complex cation, H(2)bimt bridges two Ir(III) centers by S atom in the mu-kappa S:kappa S mode, while the monodeprotonated Hbimt ligand bridges via S and N atoms in the mu-kappa S:kappa N(1) mode. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.05.053