Cu(N-(3-hydroximino-2-methylbutan-2-yl)methylamine)(SO4)(H2O)2 | 412299-60-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: Cu(N-(3-hydroximino-2-methylbutan-2-yl)methylamine)(SO4)(H2O)2
• CAS: 412299-60-6
• 化学式: C₆H₁₈CuN₂O₇S
• 分子量: 325.83
• InChiKey: WDCRMQWVZKZGAC-RKAMWMKASA-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：

  copper(ll) sulfate pentahydrate 、 N-(3-hydroximino-2-methylbut-2-yl-2)methylamine 在 H₂SO₄ 作用下， 以 硫酸 为溶剂， 以49%的产率得到Cu(N-(3-hydroximino-2-methylbutan-2-yl)methylamine)(SO4)(H2O)2
  参考文献：
  名称：

  摘要：

  Paramagnetic copper(H) complexes with N-(3-hydroximino-2-methylbutan-2-yl)methylamine (HL), namely, Cu(HL)Cl-2 (I), Cu(HL)(SO4) . 2H(2)O (II), and Cu(HL)(NO3)(2) (III), were obtained. The crystal structures of I and II were determined. The blue crystals of these compounds are monoclinic. For I (C6H14Cl2CuN2O): a = 8.820(1) Angstrom, b = 6.511(1) Angstrom, c = 18.255(2) Angstrom, beta = 92.86(1)degrees V = 1047.0(2) Angstrom(3), space group P2(1)/c, rho(calcd) = 1.679 g/cm(3), Z = 4 for R-1 = 0.0250; for II (C6H18CuN2O7S): a = 9.999(2) Angstrom, b = 9.927(2) Angstrom, c = 12.963(3) Angstrom, beta = 106.37(3)degrees, V = 1234.5(4) Angstrom(3), space group P2(1)/c, rho(calcd) = 1.753 g/cm(3), Z = 4 for R-1 = 0.0324. Crystals of I have a molecular structure. The Cu coordination polyhedron is a square bipyramid (2N + 2Cl + Cl + Cl) due to additional contacts with two Cl atoms from the neighboring molecules. Structure II is built from polymeric chains. The environment of the Cu atom is a distorted cis-octahedron (2N + 2O(H2O) + 2O(SO4)). Complexes I-III are characterized by IR and EPR spectroscopy.

  DOI：

  10.1023/a:1013767905282