diisopropylammonium dicitratoborate | 1357077-90-7

• 英文名称: diisopropylammonium dicitratoborate
• CAS: 1357077-90-7
• 化学式: C₆H₁₆N*C₁₂H₁₂BO₁₄
• 分子量: 493.23
• InChiKey: CZYTTZJOVDDKAZ-UHFFFAOYSA-O

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：

  硼酸 、 二异丙胺 、 柠檬酸 以 水 为溶剂， 生成 diisopropylammonium dicitratoborate
  参考文献：
  名称：

  Structure of diisopropylammonium dicitratoborate and crystallochemical features of alkylammonium complexes with boric and citric acids

  摘要：

  Single crystals of diisopropylammonium dicitratoborate of the formula (C(3)H(7))(2)NH(2)[(C(6)H(6)O(7))(2)B] (I) were prepared and characterized by X-ray diffraction. The crystals are monoclinic, space group C2/c, a = 15.9978(5) , b = 11.0805(4) , c = 13.1872(4) , alpha = 90A degrees, beta = 103.34(1)A degrees, gamma = 90A degrees, Z = 8, V = 2274.5 (1) (3), Z = 8, rho(calc) = 1.440 g/cm(3), 2237 reflections with I > 2 sigma(I); R1 = 0.0408. Structure I is built from complex spiran-type dicitratoborate anions and diisopropylammonium cations. In the crystal packing, the anions and the cations form staggered stacks linked by a system of hydrogen bonds involving three independent contacts O(N)-H...O. X-ray diffraction data for structure I were compared with those for complexes of boric and citric acids with ammonium and alkylammonium cations.

  DOI：

  10.1134/s0036023611120503