[(e,a-cis-1,4-cyclohexanedicarboxylate)aqualead(II)] | 868133-17-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [(e,a-cis-1,4-cyclohexanedicarboxylate)aqualead(II)]
• CAS: 868133-17-9
• 化学式: C₈H₁₀O₄*H₂O*Pb
• 分子量: 395.38
• InChiKey: CSRJLMSWTNYIAU-RUTFAPCESA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.91
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  111.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  lead(II) nitrate 、 1,4-环己烷二甲酸 、 水 在 2,5-bis(4-pyridyl)-1,3,4-oxadiazole 作用下， 以 水 为溶剂， 以75%的产率得到[(e,a-cis-1,4-cyclohexanedicarboxylate)aqualead(II)]
  参考文献：
  名称：

  Two-dimensional CuII and first PbII coordination polymers based on a flexible 1,4-cyclohexanedicarboxylate ligand displaying different conformations and coordination modes

  摘要：

  Two novel metal-organic hybrid coordination polymers {[Cu(bpo)(chdc)(H2O)](H2O)(0.5)}(n) (1) and [Pb(chdc)(H2O)](n) (2) have been synthesized under different conditions and structurally characterized by single-crystal X-ray diffraction technique, where H(2)chdc refers to a flexible 1,4-cyclohexanedicarboxylic acid ligand and bpo is 2,5-bis(4-pyridyl)-1,3,4-oxadiazole. Complex 1 has a two-dimensional (2-D) grid-like [11.28 x 13.63 angstrom(2)] framework in which the Cu-II centers are extended via bidentate bridging ligands bpo and e,e-trans-chdc along two directions, exhibiting large porous cavities. Coordination polymer 2 represents the first Pb-II complex of H(2)chdc in which the larger Pb-II centers are connected by e,a-cis-chdc anions to afford a 2-D close-knit structure. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.07.006