triethylammonium benzene-1,3,5-tricarboxylato(pyridine)zinc(II) | 527752-28-9

• 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: triethylammonium benzene-1,3,5-tricarboxylato(pyridine)zinc(II)
• CAS: 527752-28-9
• 化学式: C₅H₅N*C₆H₁₆N*C₉H₃O₆*Zn
• 分子量: 453.81
• InChiKey: FWLMIKLKIVHOQQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.21
• 重原子数：
  29.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  137.72
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  吡啶 、 zinc(II) nitrate hexahydrate 、 均苯三甲酸 、 三乙胺 以 N,N-二甲基甲酰胺 为溶剂， 生成 triethylammonium benzene-1,3,5-tricarboxylato(pyridine)zinc(II)
  参考文献：
  名称：

  Triethylammonium benzene-1,3,5-tricarboxylato(pyridine)zinc(II): a two-dimensional undulating mesh network

  摘要：

  A two-dimensional layered metal-organic framework material (HN(CH2CH3)(3))Zn(BTC)(Pyd) with chiral trigonal pores has been prepared with HTEA(+) as the structure-directing agent under mild synthetic condition. Crystal data for (HTEA)Zn(BTC)(Pyd): M = 450.77, Orthorhombic, space group Pbca, a = 13.652(4) Angstrom, b = 16.345(4) Angstrom, c = 18.734(6) Angstrom, V = 4180(2) Angstrom(3), T = 293 K, Z = 8, p = 1.213 mm(-1), D-c = 1.439 mg/m(3). 9197 reflections measured, 2972 observed (R-int = 0.0905), which were used in all calculations. The final R-1 = 0.0498, R-w = 0.1134. The structure was solved by direct methods using SHEUXTU-97. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1387-7003(02)00778-5