[copper(II)(2,6-pyridinedicarboxylate)(2-amino-5-nitropyrimidine)(H2O)] | 1427283-40-6

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: [copper(II)(2,6-pyridinedicarboxylate)(2-amino-5-nitropyrimidine)(H2O)]
• 英文别名: [Cu(pdc)(anpym)(H2O)]
• CAS: 1427283-40-6
• 化学式: C₁₁H₉CuN₅O₇
• 分子量: 386.768
• InChiKey: NVOIMXWEVSAXBS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  2-氨基-5-硝基嘧啶 、 吡啶-2,6-二甲酸 、 copper(II) acetate monohydrate 生成 [copper(II)(2,6-pyridinedicarboxylate)(2-amino-5-nitropyrimidine)(H2O)]
  参考文献：
  名称：

  Three new pyridine-2,6-dicarboxylate copper(II) compounds with coordinated pyrimidine-based ligands: Synthesis, characterization and crystal structures

  摘要：

  Three new Cu(II) compounds of pyridine-2,6-dicarboxylic acid (H(2)pdc) with substituted pyrimidines as additional ligands have been synthesized and structurally characterized using X-ray diffraction, i.e. [Cu(pdc)(4HOpym)(H2O)(2)](H2O)(2) (1) (4HOpym = 4-hydroxypyrimidine), [Cu(Pdc)(anpym)(H2O)] (2) (anpym = 2-amino-5-nitropyrimidine) and [Cu(pdc)(cinpym)(H2O)](H2O) (3) (clnpym = 2-chloro-4-nitropyrimidine). The three compounds are further characterized by IR, EPR and ligand field spectroscopy. The geometry around the Cu(II) ions is distorted octahedral for (1) and distorted square pyramidal for (2) and (3). Inter- and intramolecular hydrogen bondings play an important role in the structure and packing of the compounds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.06.074