3,5-dimethylpyrazole | 151226-26-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3,5-dimethylpyrazole
• 英文别名: 3,5-dimethyl-3H-pyrazole
• CAS: 151226-26-5
• 化学式: C₅H₈N₂
• 分子量: 96.1319
• InChiKey: FHYYZLIZTSJHLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  nickel(II) chloride hexahydrate 、 3,5-dimethylpyrazole 以 乙醇 为溶剂， 以86%的产率得到[NiCl2(3,5-dimethylpyrazole)2(H2O)2]
  参考文献：
  名称：

  Synthesis, characterization and crystal structure of a novel two-dimensional network formed by the reaction of a pyrazole ligand with nickel(II) ions

  摘要：

  A new supramolecular complex, [NiCl2(Hdmpz)(2)(H2O)(2)] (Hdmpz = 3.5-dimethylpyrazole), has been synthesized and characterized by elemental analyses, mass spectrometry, conductivity measurements, IR and UV-Vis spectroscopies. The behavior of the complex in different solvents is described. The complex has also been characterized crystallographically, the Ni(II) atom is surrounded by two Cl atoms, two N atoms from Hdmpz and two molecules of water to attain a pseudo octahedral structure. All the ligands are trans-orientated In this structure, Intermolecular interactions have been identified and studied. Extended structure analyses revealed a novel two-dimensional network in the (1 0 0) plane formed by intermolecular C-H Cl and N-H Cl hydrogen bonding interactions. (C) 2009 Elsevier Ltd. All rights reserved

  DOI：

  10.1016/j.poly.2009.11.018