| 245412-01-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• CAS: 245412-01-5
• 化学式: C₄H₁₂N₂*H₈O₉SV*O₄S
• 分子量: 419.282
• InChiKey: SLCCVBMGMIHADH-UHFFFAOYSA-L

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：

  硫酸 、 哌嗪 、 sodium sulfate 、 硫酸氧钒水合物 在 CH₃SO₃H 作用下， 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  Hydrothermal synthesis and characterization of a new vanadyl sulfate compound: crystal structure of [V(IV)OSO4(H2O)4]·SO4·[H2N(C2H4)2NH2]

  摘要：

  The hydrothermal reaction of a mixture of vanadylacetylacetonate-VO(acac)(2), Na2SO4, piperazine, and diluted H2SO4 at 160 degrees C gives a blue colored solution which yields rectangular blue crystals of [V(IV)OSO4(H2O)(4)]. SO4.[H2N(C2H4)(2)NH2] (1) in a 60% yield. Complex 1 is a new organic-inorganic compound: a vanadyl sulfate cocrystallized with organic species. The structure of 1 consists of layers of [V(IV)OSO4(H2O)(4)] separated by SO42- and doubly protonated piperazine cations [H2N(C2H4)(2)NH2](2+) which are hydrogen bonded with each other. Crystal data for 1: monoclinic, space group P2(1)/c (no. 14), a = 17.1502(10), b = 7.2860(4), c = 12.4448(7) Angstrom, beta = 107.058(10)degrees, V = 1486.7(2) Angstrom(3), Z = 4. The structure was solved by direct methods and least-squares refinement converged at R = 0.0305. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00153-x