diaquabis(quinoxaline-2-carboxylato-κ2N1,O)copper(II) | 21356-80-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: diaquabis(quinoxaline-2-carboxylato-κ2N1,O)copper(II)
• 英文别名: Diaquabis(quinoxaline-2-carboxylato-kappa^2^N^1^,O)copper(II)；copper;quinoxaline-2-carboxylate;dihydrate
• CAS: 21356-80-9
• 化学式: C₁₈H₁₄CuN₄O₆
• 分子量: 445.878
• InChiKey: YJDCAQMQUMADOJ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.67
• 重原子数：
  29
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-喹喔啉甲醛 、 copper(II) perchlorate hexahydrate 在 triethylenetetramine 作用下， 以 甲醇 为溶剂， 生成 diaquabis(quinoxaline-2-carboxylato-κ2N1,O)copper(II)
  参考文献：
  名称：

  Diaquabis(quinoxaline-2-carboxylato-κ²N¹,O)copper(II)

  摘要：

  In the title compound, [Cu(C9H5N2O2)2(H2O)(2)], the Cu-II ion lies on an inversion centre and has an elongated centrosymmetric octahedral environment, equatorially trans-coordinated by two N,O-bidentate quinoxaline-2-carboxylate ligands and axially coordinated by two water O atoms. Symmetry-related molecules are linked by strong O-H center dot center dot center dot O hydrogen bonds, involving the uncoordinated carboxyl O atom of the carboxylate group and the coordinated water molecules, to form a two-dimensional network. Weak intermolecular C-H center dot center dot center dot N interactions also stabilize the crystal structure.

  DOI：

  10.1107/s0108270107053723

文献信息

• A quinoxaline–diaminomaleonitrile conjugate system for colorimetric detection of Cu²⁺ in 100% aqueous medium: observation of aldehyde to acid transformation
  作者：Riya Bag、Yeasin Sikdar、Sutapa Sahu、Pinaki Saha、Jayanta Bag、Kuntal Pal、Sanchita Goswami

  DOI：10.1039/c9dt00670b

  日期：——

  A quinoxaline–diaminomaleonitrile conjugate is used for detection of Cu(ii) in water and shows the oxidation of aldehydes to acids.

  一种喹啉-二氨基丙烯腈共轭物被用于检测水中的Cu(II)，并显示醛类物质氧化为酸。