tetraphenylstibium acetate*(acetic acid) | 126575-17-5

• 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: tetraphenylstibium acetate*(acetic acid)
• CAS: 126575-17-5
• 化学式: C₂H₄O₂*C₂₆H₂₃O₂Sb
• 分子量: 549.27
• InChiKey: WGQXMWSCJFZQOO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.17
• 重原子数：
  33.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  63.6
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  溶剂黄146 、 四苯基锑乙酸盐 以 溶剂黄146 为溶剂， 生成 tetraphenylstibium acetate*(acetic acid)
  参考文献：
  名称：

  Adducts of tetraphenylstibium nitrate with nitric acid and of tetraphenylstibium acetate with acetic acid: Syntheses and structures

  摘要：

  The reactions of tetraphenylstibium nitrate with nitric acid and of tetraphenylstibium acetate with acetic acid yield adducts Ph4SbONO2 center dot HNO3 (I) and Ph4SbOC(O)CH3 center dot CHH3COOH (II). According to X-ray diffraction data, the antimony atom in [Ph4Sb](+)[O2N-O center dot center dot center dot H center dot center dot center dot O-NO2](-) has a tetrahedral coordination. The CSbC bond angles and Sb-C bond lengths vary within 108.04(6)degrees-109.75(4)angstrom and 2.096(1)-2.098(1) angstrom, respectively. The anion includes the intermolecular hydrogen bond O(1)-H(1)center dot center dot center dot O(1)'' the O(1)-H(1), H(1)center dot center dot center dot O(1)'', and O(1)center dot center dot center dot O(1)'' distances are 0.91(4), 1.56(4), and 2.460(2) angstrom, respectively; and the OHO angle is 169(5)angstrom. The nitrate groups are usually planar. Complex II also contains the intermolecular hydrogen bond with the following parameters: O(3)-H(3), 0.92 angstrom; H(3)center dot center dot center dot O(2), 1.68 angstrom; and O(3)center dot center dot center dot O(2) 2.594 angstrom; the O(2)H(3)O(3) angle is 172.1 angstrom. This H-bond noticeable changes the coordination polyhedron of the antimony atom compared to that in tetraphenylstibium acetate.

  DOI：

  10.1134/s0036023608070206