catena-poly[[aqua(N-ethylurea-O)copper(II)]-μ-[N(1-carboxyethylidene)-β-alaninato-O(1),N,O:O(1')]] | 220252-00-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: catena-poly[[aqua(N-ethylurea-O)copper(II)]-μ-[N(1-carboxyethylidene)-β-alaninato-O(1),N,O:O(1')]]
• 英文别名: aqua-(N-ethylurea-O)(N-pyruvidene-.bata-alaninato-O,N,O')copper(II)
• CAS: 220252-00-6
• 化学式: C₉H₁₇CuN₃O₆
• 分子量: 326.796
• InChiKey: MTMMQKUEPZMXEO-QNEYZHQCSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  Cytochrome鎐frompigeonbreastmuscle 、 diaqua(N-pyruvidene-β-alaninato)copper(II) monohydrate 以 乙醇 为溶剂， 生成 catena-poly[[aqua(N-ethylurea-O)copper(II)]-μ-[N(1-carboxyethylidene)-β-alaninato-O(1),N,O:O(1')]]
  参考文献：
  名称：

  Polymeric aqua(N-ethylurea-O)(N-pyruvidene-β-alaninato-O,N,O')copper(II)

  摘要：

  In the title compound, [Cu(C6H7NO5)(C3H8N2O)(H2O)](n), the Cu-II ion is octahedrally coordinated by three donor atoms of the N-pyruvidene-beta-alaninato Schiff base dianion, and one carboxylic O atom of a symmetry-related molecule at a distance of 1.982 (1) Angstrom in the central plane; the latter contact leads to the formation of polymeric chains. One axial position is occupied by a water O atom at an apical distance of 2.310 (2) Angstrom. The distance between the Cu atom and the sixth donor, the O atom of the neutral N-ethylurea ligand, is 3.062 (2) Angstrom. The chains are connected to each other by hydrogen bonding, forming a two-dimensional network along [010] and [100], The Cu polyhedra have two magnetically inequivalent orientations.

  DOI：

  10.1107/s0108270198010166