Zn(3,5-dimethylpyrazole)4(5-chlorosalicylate)2 | 1609180-64-4

• 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(3,5-dimethylpyrazole)4(5-chlorosalicylate)2
• 英文别名: Zn(3,5-dimethylpyrazole)₄(5-chlorosalicylate)₂
• CAS: 1609180-64-4
• 化学式: C₃₄H₄₀CdCl₂N₈O₆
• 分子量: 840.058
• InChiKey: JICSAUITRBYGLM-UHFFFAOYSA-L

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：

  3,5-二甲基吡唑 、 5-氯代水杨酸 、 cadmium(II) acetate dihydrate 以 甲醇 、 乙醇 为溶剂， 反应 2.0h， 以74%的产率得到Zn(3,5-dimethylpyrazole)4(5-chlorosalicylate)2
  参考文献：
  名称：

  Construction of six non-covalent-bonded supramolecules from reactions of cadmium(II), and zinc(II) with 3,5-dimethylpyrazole and carboxylate ligands

  摘要：

  Six new complexes Cd(Hdmpz)(2)(L1)(2) (1) (Hdmpz = 3,5-dimethylpyrazole, L1 = nicotinate), Zn(Hdmpz)(2) (L2)(2) (2) (L2 = N-phenylanthranilate), Zn(Hdmpz)(2)(L3)(2) (3) (L3 = N-phenylmaleamate), Cd(Hdmpz)(4)(L4)(2) (4) (L4 = 5-chlorosalicylate), Cd-2(Hdmpz)(6)(L5)(2)Cd(Hdmpz)(4)(HL5)(2)center dot 2H(2)O (5) (HL5 = hydrogen 1,4-cyclohexanedicarboxylate, L5 = 1,4-cyclohexanedicarboxylate), and Zn(Hdmpz)(2)(L6) (6) (L6 = sebacate) were prepared and characterized by elemental analysis, IR spectra, TG, and single crystal X-ray diffraction analysis. The X-ray studies revealed that these complexes display mononuclear to trinuclear structures with tetrahedral geometry around each zinc center, and octahedral geometry around each cadmium ion. The Hdmpzs in all compounds are coordinated only in monodentate fashion with its neutral N group. In all of the complexes except 5, all carboxylate groups behave as monodentate ligands. The uncoordinated O atom of the carboxylate group in 1, 2, 4, 5, and 6, forms intramolecular hydrogen bond with the N-H group of the Hdmpz. On the basis of X-ray crystallographic study the rich intra-and intermolecular non-covalent interactions such as classical hydrogen bonds, Cl center dot center dot center dot O, C-H center dot center dot center dot O, CH2 center dot center dot center dot O, CH3 center dot center dot center dot O, CH center dot center dot center dot pi, CH3-pi, and pi-pi interactions are analyzed. The extensive nonbonding interactions in these compounds are responsible for different structures such as 3D network, 2D sheet, and 3D layer network structure. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2014.02.027