{[Zn(4-bis(2-methyl-imidazol-1-yl)butane)(succinate)]*H2O}n | 1443776-56-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: {[Zn(4-bis(2-methyl-imidazol-1-yl)butane)(succinate)]*H2O}n
• CAS: 1443776-56-4
• 化学式: C₄H₄O₄*C₁₂H₁₈N₄*H₂O*Zn
• 分子量: 417.78
• InChiKey: AHFXJMOEBDNULQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.38
• 重原子数：
  26.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  147.4
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  丁二酸 、 1,4-双(2-甲基-1H-咪唑-1-基)丁烷 、 水 、 zinc(II) acetate dihydrate 以 甲醇 为溶剂， 以64%的产率得到{[Zn(4-bis(2-methyl-imidazol-1-yl)butane)(succinate)]*H2O}n
  参考文献：
  名称：

  A study of zinc(II) coordination polymers with identical meso-helix based on 1,4-bis(2-methyl-imidazol-1-yl)butane

  摘要：

  On the basis of 1,4-bis(2-methyl-imidazol-1-yl)butane (bib), four new coordination polymers (CPs), namely, {[Zn(bib)(male)](2)center dot 2H(2)O}(n) (1), {[Zn(bib)(suc)]center dot H2O}(n) (2), {[Zn(bib)(fum)]center dot CH3OH}(n) (3), {[Zn(bib)(bpdc)]center dot 2H(2)O}(n) (4) (H(2)mal = maleic acid, H(2)suc = succinic acid, H(2)fum = fumaric acid, bpdc(2) = 2,2'-bipyridine-3,3'-dicarboxylate) have been synthesized by the reaction of zinc(II) salts and bib with four different aliphatic/aromatic binary acids under the same conditions, respectively. These coordination polymers are structurally characterized by elemental analysis, IR, single-crystal X-ray crystallography and TG analysis. All of them host a same meso-helical chain constructed by metal centers and bib ligands. 1 and 2 feature similar 2D wave-like topology containing a meso-helical chain; 3 is a 3D diamond-like structure, comprising two different meso-helical chains, and shows 4-fold interpenetrated framework with {6 boolean AND 6} topology; 4 is a 3D diamond-like structure, containing a meso-helical chain, and displays 3-fold interpenetrated net with {6 boolean AND 6} topology. In addition, the phase purities of bulk samples were further identified by X-ray powder diffraction analysis. Solid state luminescent spectra have been investigated at room temperature, and the luminescent lifetime of 3 was monitored at room temperature. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.03.015