| 139408-75-6

• CAS: 139408-75-6
• 化学式: C₃₀H₆₇In₂*K
• 分子量: 696.6
• InChiKey: SHJLMSPVMMXTPJ-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为产物：
  描述：

  trineopentylindium 、 potassium;tris(2,2-dimethylpropyl)indiganuide 以 正戊烷 为溶剂， 以97.2%的产率得到
  参考文献：
  名称：

  有机氢化铟的化学。K {H [In（CH2CMe3）3] 2}的合成，表征和晶体结构

  摘要：

  Two new organoindium hydrides K{H[In(CH2CMe3)3]2} and K[HIn(CH2CMe3)3] have been prepared and fully characterized according to their physical properties, partial elemental analyses, molecular weight studies, and IR and H-1 and C-13 NMR spectral studies. The unique hydrogen atoms bonded to indium in the two compounds provide characteristic infrared bands and H-1 NMR resonances, which have been identified by comparative studies with the corresponding deuterium derivatives. The indium hydride K{H[In(CH2CMe3)3]2} crystallizes in the monoclinic space group C2/c (No. 15) with cell parameters of a = 22.243 (5) angstrom, b = 17.021 (3) angstrom, c = 21.290 (3) angstrom, beta = 110.350 (10)-degrees, V = 7557 (2) angstrom 3, and Z = 8. Final discrepancy indicies were R = 6.32% and R(w) = 4.97% for all 4947 independent data and R = 2.96% and R(w) = 3.67% for those 2924 reflections with \F(o)\ > 6-sigma(F(o)). The crystal is composed of K+ cations and (Me3CCH2)3In-H-In(CH2CMe3)3- anions, each of which lie on 2-fold axes. In-C(neopentyl) distances range from 2.199 (6) to 2.231 (6) angstrom (averaging 2.213 angstrom), while In-(mu-H) distances are 1.933 (15) and 1.950 (23) angstrom. In-H-In angles are 151 (5) and 161 (5)-degrees.

  DOI：

  10.1021/om00040a018