Δ-[Zn(2,2'-biimidazole)₃]SO₄ | 904700-22-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Δ-[Zn(2,2'-biimidazole)₃]SO₄
• 英文别名: zinc;2-(1H-imidazol-2-yl)-1H-imidazole;sulfate
• CAS: 904700-22-7
• 化学式: C₁₈H₁₈N₁₂Zn*O₄S
• 分子量: 563.875
• InChiKey: QRGOCBJYFVLMJW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.06
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  261
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  zinc(II) sulfate heptahydrate 、 联咪唑 以 水 为溶剂， 以35%的产率得到Δ-[Zn(2,2'-biimidazole)₃]SO₄
  参考文献：
  名称：

  Supramolecular architectures built of biimidazole complexes and sulfate or nitrate anions

  摘要：

  Four new supramolecular architectures constructed via charge-assisted hydrogen bonds between M2+-H(2)biim fragments (M = Zn, Cd, and Cu) and inorganic counter-anions (sulfate or nitrate) have been established. Type II (R-2(1)(8)) and III (R-2(2) (9)) hydrogen bonds have been found to dominate their crystal structure fori-nation. An unusual four-membered water hexamer has been found in 2. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.12.031

文献信息

• Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers
  作者：Yu-Hui Tan、Jin-Ji Wu、Hai-Yun Zhou、Li-Fei Yang、Bao-Hui Ye

  DOI：10.1039/c2ce26334c

  日期：——

  The homochiral self-assembly of [M(H2biim)3]SO4 (M2+ = Ru, 1; Co, 2; Ni, 3; Mn, 4; Fe, 5; and Zn, 6; H2biim = 2,2′-biimidazole) complexes have been systematically observed. For complexes 1 and 2, the spontaneous resolution processes not only depend on the counter anion but are also impacted by the pH value of the reaction solution. The enantiomers Δ-1 and Λ-1, and Δ-2 and Λ-2 were isolated in acidic conditions, while rac-1 and rac-2·5H2O were obtained in neutral conditions, respectively. For complexes 3–6, however, the spontaneous resolution processes are independent on the pH value of the reaction solution. Single crystal X-ray diffraction analysis reveals the enantiomers Δ and Λ are homochiral (10,3)-b three-dimensional networks constructed by the hydrogen bonds between the sulfate and H2biim ligand, whereas rac-1 assembles into (6,3) two-dimensional layers (see CrystEngComm, 2009, 11, 1114–1121) and rac-2 into one-dimensional chains. The data observed here seem to suggest that the hydrogen bonding modes between the sulfate and H2biim ligand play a crucial role in spontaneous resolution of the enantiomers. Furthermore, the solid state CD spectra and powder XRD patterns were also used to diagnose the obtained complexes.

  我们系统地观察了[M(H2biim)3]SO4（M2+ = Ru，1；Co，2；Ni，3；Mn，4；Fe，5；Zn，6；H2biim = 2,2â²-双咪唑）复合物的同手性自组装。对于络合物 1 和 2，自发的解析过程不仅取决于反阴离子，还受到反应溶液 pH 值的影响。δ-1和δ-1、δ-2和δ-2对映体在酸性条件下分离，而rac-1和rac-2Â-5H2O则分别在中性条件下获得。然而，对于复合物 3â6 而言，自发的分解过程与反应溶液的 pH 值无关。单晶 X 射线衍射分析表明，对映体δ和δ是由硫酸盐和 H2biim 配体之间的氢键构建的同手性 (10,3)-b 三维网络，而 rac-1 则组装成 (6,3) 二维层（见 CrystEngComm, 2009, 11, 1114â1121），rac-2 则组装成一维链。这里观察到的数据似乎表明，硫酸盐和 H2biim 配体之间的氢键模式在对映体的自发分辨中起着至关重要的作用。此外，固态 CD 光谱和粉末 XRD 图谱也被用来诊断所获得的复合物。