trans-[Cd(3,8-dibromo-1,10-phenanthroline-κ2-N,N')2(NO3-κ2-O,O')2]*CH3CN | 1144110-36-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: trans-[Cd(3,8-dibromo-1,10-phenanthroline-κ2-N,N')2(NO3-κ2-O,O')2]*CH3CN
• 英文别名: trans-[Cd(3,8-dibromo-1,10-phen-κ2-N,N')(NO3-κ2-O,O')2]*CH3CN
• CAS: 1144110-36-0
• 化学式: C₂H₃N*C₂₄H₁₂Br₄CdN₆O₆
• 分子量: 953.474
• InChiKey: WPODGSDQCXKEOL-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  trans-[Cd(3,8-dibromo-1,10-phenanthroline-κ2-N,N')2(NO3-κ2-O,O')2]*CH3CN 以 neat (no solvent) 为溶剂， 生成 trans-[Cd(3,8-dibromo-1,10-phenanthroline-κ2-N,N')2(NO3-κ2-O,O')2]
  参考文献：
  名称：

  Studies on one 2D cadmium(II) coordination polymer and two mononuclear cadmium(II) complexes with trans or cis configuration having 3-bromo, 3,6-dibromo, and 3,8-dibromo 1,10-phenanthroline ligands

  摘要：

  Three novel Cd(II) complexes, formulated as [Cd(3,8-dibromo-1,10-phen-(KN)-N-2,N'(L-tar)](n) (1), trans-[Cd(3,8-dibromo-1,10-phen-(KN)-N-2,N')(2)(NO3-(KO)-O-2,O')(2)]center dot(CH3CN) (2) and cis-[Cd(3,6-dibromo-1,10-phen-(KN)-N-2,N')(3-bromo-1,10-phen-(KN)-N-2,N')(NO3-O-2,O')(CH3OH-KO)](NO3) (3) (phen = phenanthroline, L-tarH(2) = L-tartaric acid), have been synthesized and characterized in this paper. In coordination polymer 1, the [Cd-2(3,8-dibromo-phen)2](4+) cations are bridged by L-tar ligands into an infinite 2D lamellar polymer along the c-axis, and the neighboring 2D polymers are further extended into a 3D supramolecular network by pi-pi stacking interactions. Complexes 2 and 3 are both mononuclear cadmium complexes but with different conformation (trans or cis). In the crystal packing structures of 2 and 3, molecules are arranged into three-dimensional (3D) frameworks by intermolecular hydrogen bonding and pi-pi stacking interactions. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2008.11.011
• 作为产物：
  描述：

  乙腈 、 cadmium(II) nitrate tetrhydrate 、 3,8-二溴菲罗啉 以 甲醇 、 水 为溶剂， 以79%的产率得到trans-[Cd(3,8-dibromo-1,10-phenanthroline-κ2-N,N')2(NO3-κ2-O,O')2]*CH3CN
  参考文献：
  名称：

  Studies on one 2D cadmium(II) coordination polymer and two mononuclear cadmium(II) complexes with trans or cis configuration having 3-bromo, 3,6-dibromo, and 3,8-dibromo 1,10-phenanthroline ligands

  摘要：

  Three novel Cd(II) complexes, formulated as [Cd(3,8-dibromo-1,10-phen-(KN)-N-2,N'(L-tar)](n) (1), trans-[Cd(3,8-dibromo-1,10-phen-(KN)-N-2,N')(2)(NO3-(KO)-O-2,O')(2)]center dot(CH3CN) (2) and cis-[Cd(3,6-dibromo-1,10-phen-(KN)-N-2,N')(3-bromo-1,10-phen-(KN)-N-2,N')(NO3-O-2,O')(CH3OH-KO)](NO3) (3) (phen = phenanthroline, L-tarH(2) = L-tartaric acid), have been synthesized and characterized in this paper. In coordination polymer 1, the [Cd-2(3,8-dibromo-phen)2](4+) cations are bridged by L-tar ligands into an infinite 2D lamellar polymer along the c-axis, and the neighboring 2D polymers are further extended into a 3D supramolecular network by pi-pi stacking interactions. Complexes 2 and 3 are both mononuclear cadmium complexes but with different conformation (trans or cis). In the crystal packing structures of 2 and 3, molecules are arranged into three-dimensional (3D) frameworks by intermolecular hydrogen bonding and pi-pi stacking interactions. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2008.11.011