[CuSCN(4-hydroxypyrimidine-κN1)] | 313045-30-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [CuSCN(4-hydroxypyrimidine-κN1)]
• CAS: 313045-30-6
• 化学式: C₉H₈CuN₅O₂S
• 分子量: 313.807
• InChiKey: TVJACHROYZENPV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None

反应信息

• 作为产物：
  描述：

  copper(I) thiocyanate 、 4(3H)-嘧啶酮 以 水 、 乙腈 为溶剂， 以80%的产率得到[CuSCN(4-hydroxypyrimidine-κN1)]
  参考文献：
  名称：

  Non-centrosymmetric CuSCN Based Coordination Polymers with Substituted Pyrazine and Pyrimidine Ligands

  摘要：

  Non-centrosymmetric one- to three-dimensional CuSCN-based coordination polymers with substituted pyrazine or pyrimidine spacer ligands can be prepared by self-assembly in acetonitrile solution at 100 degrees C. Both (1)(infinity)[CuSCN(2NCpyz)(2)] (1) (2NCpyz = 2-cyanopyrazine) and (1)(infinity)[CuSCN(4HOpym)(2)] (3) (4 HOpym = 4-hydroxypyrimidine) contain single zigzag CuSCN chains as their central backbone and crystallise in polar space groups (monoclinic Cm and orthorhombic Ama2). In (2)(infinity)[(CuSCN)(2)(mu-2 Mepyz)] (2 (2 Mepyz = 2-methylpyrazine), (1)(infinity)[(CuSCN))(2)] staircase double chains are connected by bridging 2 Mepyz Ligands to afford a lamellar polymer (triclinic . Whereas (2)(infinity)[CuSCN(5 Brpym)] (4) (5 Brpym = 5-bromopyrimidine) with its honeycomb (2)(infinity)[CuSCN] layers is chiral (monoclinic P2(1)), both 3D polymers (3)(infinity)(CuSCN)(2)(mu-pym)] (5) and (2)(infinity)[(CuSCN)(3)(mu-4 Mepym)] (6) (4 Mepym = 4-methylpyrimidine) contain polar coordination networks (orthorhombic Fdd2 and monoclinic Pc). The CuSCN framework in (5) consists of thiocyanate bridged (1)(infinity)[CuS] chains, that in 6 of interlocked (2)(infinity)[CuSCN] and (2)(infinity)[Cu2S(SCN)] sheets.

  DOI：

  10.1002/1521-3749(200010)626:10<2196::aid-zaac2196>3.0.co;2-7