[Cu(5-sulfosalicylate)2(thiosemicarbazide)2] | 1373118-92-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Cu(5-sulfosalicylate)2(thiosemicarbazide)2]
• CAS: 1373118-92-3
• 化学式: C₁₆H₂₀CuN₆O₁₂S₄
• 分子量: 680.178
• InChiKey: HXZZYRMAZQTQNW-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：

  copper(II) choride dihydrate 、 氨基硫脲 、 5-磺基水杨酸 在 NaOH 作用下， 以 水 为溶剂， 生成 [Cu(5-sulfosalicylate)2(thiosemicarbazide)2]
  参考文献：
  名称：

  Synthesis and crystal structure of a copper(II) 5-sulfosalicylate complex with thiosemicarbazide

  摘要：

  The compound [Cu(TSC)(2)](H(2)SSal)(2) (I) has been synthesized (TSC is thiosemicarbazide, H(3)SSal is 5-sulfosalicylic acid) and studied by IR spectroscopy and X-ray crystallography. The crystals of I are triclinic: a = 6.728(2) , b = 7.772(1), c = 11.600(6), alpha = 88.60A degrees, beta = 86.68(3)A degrees, gamma = 79.22(4)A degrees, V = 594.8(4)(3), Z = 2, space group P(1) over bar. The structural units of the crystal are the centrosymmetric [Cu(TSC)(2)](2+) cation, in which the Cu atom is in a square-planar coordination formed by the bidentate chelating (N,S) TSC ligands, and (H(2)SSal)(-) anions (Cu(1)-N(3), 2.013(3) ; Cu(1)-S(1), 2.275(1) ). The coordination polyhedron of the Cu(1) atom is completed to a prolate tetragonal bipyramid (4 + 2) by Cu-O bonds (2.810(3) ) of the sulfate moieties of both anions, which form together with hydrogen bonds the [Cu(TSC)(2)(H(2)SSal)(2)] supermolecule. The complex cations are packed in layers and alternate with anion-containing layers. Hydrogen bonding and pi-pi stacking interactions are responsible for formation of supramolecular layer ensembles.

  DOI：

  10.1134/s003602361204002x