Zn2(citrate(2-))2(2,2'-bipyridine)2*H2O | 1220280-49-8

• 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: Zn2(citrate(2-))2(2,2'-bipyridine)2*H2O
• CAS: 1220280-49-8
• 化学式: C₃₂H₂₈N₄O₁₄Zn₂*H₂O
• 分子量: 841.388
• InChiKey: NPMGHQNJIIKNJY-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  2,2'-联吡啶 、 一水柠檬酸 、 zinc(II) chloride 在 NaOH 、 acetic acid 作用下， 以 水 为溶剂， 生成 Zn2(citrate(2-))2(2,2'-bipyridine)2*H2O
  参考文献：
  名称：

  The pH-dependent binding of zinc citrate to bipy/phen (bipy=2,2-bipyridine, phen=1,10-phenanthroline)

  摘要：

  The crystallizations of citrate-metal complexes with diverse structures are greatly affected by the deprotonated states of the citrate ion, counter cations and chemical nature of the metal ions. Herein we studied the ternary system Zn-cit-L-2 (cit = citrate acid, L-2 = 2,2-bipyridine (bipy) or 1,10-phenanthroline (phen)) and obtained four novel compounds Zn-2(H(2)cit)(2)(bipy)(2)center dot H2O (1), Zn-2(H(2)cit)(2)(phen)(2)center dot 1.5H(2)O (2), Zn-2(Hcit)(bipy)Cl (3), and Zn-2(Hcit)(phen)Cl center dot H2O (4). All the four compounds were characterized by elemental analysis, FT-IR spectroscopy, and X-ray crystallography. Complexes 1 and 2 with the citrate ion doubly deprotonated are dinuclear species isolated in the Zn-cit system. Complexes 3 and 4 exhibit 1 D chains in which the metal ions are connected by the triply deprotonated citrate. It shows that the final solid-state species is much dependent on the pH value of the solution. That is the dinuclear compounds of 1 and 2 are precipitated at pH 3-4 whereas the 1 D chain of 3 and 4 at a lower acidity of pH 5-6. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2009.12.007