tetraphenylbismuth 3-carboxy-4-nydroxybenzenesulfonate | 264922-26-1

• 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: tetraphenylbismuth 3-carboxy-4-nydroxybenzenesulfonate
• 英文别名: (3-carboxy-4-hydroxyphenyl)sulfonyloxy-tetraphenylbismuth
• CAS: 264922-26-1
• 化学式: C₃₁H₂₅BiO₆S
• 分子量: 734.582
• InChiKey: SRHNODXHVABXMO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.32
• 重原子数：
  39.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  100.9
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  tetraphenylbismuth 3-carboxy-4-nydroxybenzenesulfonate 、 碘化铋 以 丙酮 为溶剂， 以98%的产率得到tetraphenylbismuthonium dodeca(μ2-iodo)hexaiodopentabismuthate(III)
  参考文献：
  名称：

  Reactions of bismuth iodide with ammonium, phosphonium, and bismuthonium salts

  摘要：

  The reactions of ammonium, phosphonium, and bismuthonium salts with bismuth iodide were used to synthesize a series of complex compounds with bismuth-containing anions: [(HOC(2)H(4))(3)NH](4)(+)[Bi(4)I(16)](4-), [Ph(3)EtP](3)(+)[Bi(2)I(9)](3-), and [Ph(4)Bi](3)(+)[Bi(5)I(18)](3)(-). X-ray diffraction data show that the nitrogen atoms in the two types of crystallographically independent cations of the nitrogen-containing complex possess a distorted tetrahedral coordination [the CNC angles are 110.3(9)degrees-113.2(9)degrees]. In the tetranuclear centrosymmetric [Bi(4)I(16)](4-)anion, the bismuth atoms have an octahedral coordination: Two types of groups, BiI(2) and BiI(3), are bound with one another by four mu(2)-and two mu(3)-iodine bridges (the Bi-I-mu(2), Bi-I-mu(3), and Bi-I-mu(1) distances are 3.1296(10), 3.2808(8); 3.3210(8) and 2.8670(8)-2.9108(9) angstrom, respectively). The coordination of the phosphorus atom in the [Ph(3)EtP](+) cations of the phosphorus-containing complex is close to tetrahedral (the CPC angles are 107.5 degrees-114.1 degrees). In the binuclear [Bi(2)I(9)](3-) anions, the bismuth atoms have an octahedral coordination. The axial I-Bi-I angles are 167.52(2)degrees, 169.84(2)degrees, and 174.97(2)degrees. The terminal BiI(3) fragments [Bi(2)-I(7,8,9) 2.9238(7), 2.9236(7), and 2.9522(7) angstrom] are in the eclipsed conformation.

  DOI：

  10.1134/s1070363208070049