catena-poly[trimethyltin(IV)-μ-(3-benzoyl-α-methylbenzeneacetato-O(1),O(1'))] | 199933-07-8

• 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: catena-poly[trimethyltin(IV)-μ-(3-benzoyl-α-methylbenzeneacetato-O(1),O(1'))]
• 英文别名: (ketoprofenato)trimethyltin(IV)；trimethylstannyl 2-(3-benzoylphenyl)propanoate
• CAS: 199933-07-8
• 化学式: C₁₉H₂₂O₃Sn
• 分子量: 417.092
• InChiKey: DNBBTGQMRNRPGX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  silver 3-benzoyl-α-methylphenylacetate 、 三甲基氯化锡 以 二氯甲烷 为溶剂， 以83%的产率得到catena-poly[trimethyltin(IV)-μ-(3-benzoyl-α-methylbenzeneacetato-O(1),O(1'))]
  参考文献：
  名称：

  (Ketoprofenato)trimethyltin(IV)

  摘要：

  In the title compound, [Sn(CH3)(3)(C16H13O3)], the Sn atom has fivefold coordination involving three methyl C atoms defining the equatorial plane of a trigonal bipyramid and two O atoms from two carboxylate groups occupying the axial positions. The Sn-C bond lengths [2.106(6), 2.110(5) and 2.116(5)Angstrom] are very similar. The two carboxylate O atoms have notably different distances to the metal atom [2.184(3) and 2.433 (4) Angstrom], with an O-Sn-O angle of 174.0(1)degrees. Bidentate bridging of the carboxylate ligands via trimethyltin groups forms a polymeric structure.

  DOI：

  10.1107/s0108270197007348