chloro-(2-diphenylphosphorylethyl)-dimethylstannane | 382162-61-0

• 英文名称: chloro-(2-diphenylphosphorylethyl)-dimethylstannane
• CAS: 382162-61-0
• 化学式: C₁₆H₂₀ClOPSn
• 分子量: 413.471
• InChiKey: ALLHWAKBIWDJBP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.44
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

文献信息

• Monomer–polymer forms of solid, unsolvated, 5-coordinate halodimethyl(2-diphenylphosphinylethyl)stannanes, XMe2SnCH2CH2P(O)Ph2 (X = Cl, Br or I). Effects of different recrystallisation media
  作者：William T. A. Harrison、R. Alan Howie、Craig M. Munro、James L. Wardell

  DOI：10.1039/b103107b

  日期：——

  As determined by X-ray crystallography, unsolvated XMe2SnCH2CH2P(O)Ph2 (X = Cl, Br or I) crystallises in two forms: linear chain polymers, obtained by recrystallisation from EtOH or MeOH, and chelated monomers from non-hydroxylic solvents, such as chlorocarbons and acetone. The linear chains are formed by intermolecular Sn–O interactions [at 301 K, 2.339(2) (X = Cl): 2.309(3) (X = Br): 2.282(3) Å (X = I)]: the resulting 5-coordinate tin centres have trigonal bipyramidal geometries, with the halide and the oxygen atoms in axial sites. The chelated forms, with intramolecular Sn–O interactions [also at 301 K: 2.3989(15) (X = Cl): 2.381(2) (X = Br): 2.386(2) Å (X = I)], also contain 5-coordinate tin centres, with trigonal bipyramidal geometries and with the halide and the oxygen atoms in axial sites. As shown by X-ray powder patterns, cooling the melt of polymer-(2: X = I) gave chelate-(2: X = I). The isothiocyanato analogue, (SCN)Me2SnCH2CH2P(O)Ph2, crystallises in the monomeric chelated form from all solvents attempted for recrystallisation [Sn–O = 2.3865(19) and 2.3920(19) Å], in two independent molecules.

  根据X射线晶体学测定，无溶剂的XMe2SnCH2CH2P(O)Ph2（X=Cl、Br或I）有两种结晶形式：线性链聚合物，通过从乙醇或甲醇中重结晶获得；螯合单体，来自非羟基溶剂，如氯代烃和丙酮。线性链由分子间Sn-O相互作用形成[301 K时，2.339(2)（X=Cl）：2.309(3)（X=Br）：2.282(3) Å（X=I）]：生成的5配位锡中心具有三边双锥几何结构，卤素原子和氧原子位于轴向位置。螯合形式由分子内Sn-O相互作用形成[同样在301 K时：2.3989(15)（X=Cl）：2.381(2)（X=Br）：2.386(2) Å（X=I）]，也包含5配位锡中心，具有三边双锥几何结构，卤素原子和氧原子位于轴向位置。X射线粉末衍射图显示，冷却聚合物（2：X=I）的熔体可得到螯合物（2：X=I）。异硫氰酸酯类似物（SCN）Me2Sn
• WEICHMANN, H., J. ORGANOMET. CHEM., 1984, 262, N 3, 279-292
  作者：WEICHMANN, H.

  DOI：——

  日期：——