[Zn(2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol)Cl2(DMF)]2 | 932711-78-9

• 英文名称: [Zn(2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol)Cl2(DMF)]2
• CAS: 932711-78-9
• 化学式: C₃₂H₃₈Cl₄F₄N₁₄O₄Zn₂
• 分子量: 1031.33
• InChiKey: MAUFRHHLYPTDFC-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：

  氟康唑 、 N,N-二甲基甲酰胺 、 zinc(II) chloride 以 水 为溶剂， 以48%的产率得到[Zn(2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol)Cl2(DMF)]2
  参考文献：
  名称：

  Anion-tuned self-assembly of zinc(II)–fluconazole complexes: Crystal structures, luminescent and thermal properties

  摘要：

  Four novel fluconazole-bridged Zn(II) complexes, [Zn(Flu)Cl-2(DMF)](2) (1), {[Zn(HFlu)(2)(H2O)(2)](NO3)(2)center dot 2DMF}(n) (2), {[Zn(HFlu)(2)(H2O)(2)](NO3)(2)}(n) (3) and {[Zn(HFlu)(SCN)(2)]center dot H2O}(n) (4) [HFlu = 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-propan-2-ol], have been synthesized and structurally characterized by X-ray diffraction method. The structure of dimeric complex 1 consists of 20-membered macrometallacyclic ring-like structure, in which the Zn(II) ion is in a five-coordinated distorted trigonal bipyramidal geometry with the (ZnZn)-Zn-... distance of 10.265(3) angstrom across the cis HFlu ligand. Complex 2 shows infinite 1-D macrocyclic double chain structure with the central Zn(11) ions being six-coordinated by four HFlu ligands and two apical water molecules and with the intrachain (ZnZn)-Zn-... distance of 10.722(3) angstrom across the trans HFlu ligand. The crystal structure of complex 3 is analogous to that of complex 2 with the intrachain (ZnZn)-Zn-... distance of 10.654(2) angstrom. The structure of complex 4 consists of infinite 1-D coordination polymeric chain with the tetrahedral coordination geometry of Zn(II) ion and with the intrachain (ZnZn)-Zn-... distance of 11.173(2) angstrom across the cis HFlu ligand. Complexes 1-4 show the similar fluorescence emission to the free HFlu ligand at ambient temperature and the thermal stabilities of the complexes have also been investigated. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2006.06.028