[CuNCS(bis(3,5-dimethylpyrazolyl)methane)]n | 879133-23-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [CuNCS(bis(3,5-dimethylpyrazolyl)methane)]n
• CAS: 879133-23-0
• 化学式: CNS*C₁₁H₁₆N₄*Cu
• 分子量: 325.905
• InChiKey: FXPFGKZPNZYDEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.48
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  57.94
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  copper(I) thiocyanate 、 1-[(3,5-二甲基吡唑-1-基)甲基]-3,5-二甲基吡唑 以 甲醇 、 乙腈 为溶剂， 以80%的产率得到[CuNCS(bis(3,5-dimethylpyrazolyl)methane)]n
  参考文献：
  名称：

  Syntheses, crystal structures and luminescent properties of two one-dimensional coordination polymers [CuX(dmpzm)]n (X=CN, NCS; dmpzm=bis(3,5-dimethylpyrazolyl)methane)

  摘要：

  Reactions of CuX (X=CN, NCS) with bis(3,5-dimethylpyrazolyl)methane (dmpzm) gave rise to two new coordination polymers [CuX(dmpzm)](n) (X = CN (2), NCS (3)). Compounds 2 and 3 were characterized by elemental analysis, IR spectra and X-ray crystallography. The molecular structure of 2 has a one-dimensional zigzag chain of [CuCN(dmpzm)] units while that of 3 consists of a one-dimensional single-strand spiral chain of [CuNCS(dmpzm)] units. The luminescence properties of CuX (X =I (1), CN (2), NCS (3)) adducts of dmpzm along with free dmpzm were also investigated. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.07.028