[copper(II) pyrazine sulfate water]n | 1071799-71-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [copper(II) pyrazine sulfate water]n
• 英文别名: [Cu(SO4)(pyrazine)(H2O)]n
• CAS: 1071799-71-7
• 化学式: C₄H₄N₂*Cu*H₂O*O₄S
• 分子量: 257.714
• InChiKey: DGZCBNPUHHKMBW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.69
• 重原子数：
  13.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  137.54
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  吡嗪 、 copper(ll) sulfate pentahydrate 以 水 为溶剂， 以21%的产率得到[copper(II) pyrazine sulfate water]n
  参考文献：
  名称：

  Syntheses and crystal structures of straight or zigzag one-dimensional coordination polymers based on Cu(II) square pyramidal or Cu(I) tetrahedral coordination environments

  摘要：

  Two coordination polymers containing copper ions, [CU(SO4)(pyz)(H2O)]n (1) and [CU2(SO4)(PYZ)(2) (H2O)(2)](n) (2) (pyz = pyrazine), have been synthesized and characterized by single-crystal X-ray analyses. Compound I was synthesized by the reaction of Cu(SO4) center dot 5H(2)O with pyz (ratio = 1:2) in H2O at room temperature. The structure of 1 consists of linear chains of [Cu(pyz)(H2O)](2+), with coordinated sulfate ions bridging the chains. Compound 2 was obtained as dark red blocks from the reaction of CU(SO4) center dot 5H(2)O and pyz (ratio = 1:2) in H2O, after heating to 181 degrees C in a Teflon autoclave for 48 h. The structure of 2 consists of zigzag chains of [Cu(pyz)(H2O)](+) with sulfate ions. Only the difference in the synthesis temperature, room temperature or 180 degrees C, determines whether Cu(II) or Cu(I) coordination polymers are formed, with the reduction of Cu(II) to Cu(l) being explained by the Gillard mechanism. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.06.030

文献信息

• Microwave assisted hydrothermal synthesis of a novel CuI-sulfate-pyrazine MOF
  作者：Pilar Amo-Ochoa、Gonzalo Givaja、Pablo J. Sanz Miguel、Oscar Castillo、Félix Zamora

  DOI：10.1016/j.inoche.2007.04.024

  日期：2007.8

  Abstract A new 3D coordination copper polymer has been synthesised under microwave heating hydrothermal conditions. Microwave irradiation reduces the time of reaction considerably, suggesting the effectiveness of this methodology in the synthesis of metal-organic frameworks. It is noteworthy that microwave assisted synthesis produces monocrystals suitable for X-ray diffraction studies, reducing reaction

  摘要 在微波加热水热条件下合成了一种新的3D配位铜聚合物。微波辐射大大减少了反应时间，表明这种方法在金属有机骨架合成中的有效性。值得注意的是，微波辅助合成产生适用于 X 射线衍射研究的单晶，与经典的水热程序相比，缩短了反应时间并提高了产率。此处介绍的化合物 [Cu 2 (pyz) 2 (SO 4 )(H 2 O) 2 ] n (pyz = pyrazine) 已在晶体学上表征为三重互穿的三维配位 (10,3)-b网络。