di-thiocyanato-bis[1-methyl-2-(phenylazo)imidazole]zinc(II) | 630391-77-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: di-thiocyanato-bis[1-methyl-2-(phenylazo)imidazole]zinc(II)
• CAS: 630391-77-4
• 化学式: C₂₂H₂₀N₁₀S₂Zn
• 分子量: 553.99
• InChiKey: IGNMVLCADZNAFG-WTNQCIMSSA-N

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：

  硫氰酸铵 、 zinc(II) chloride dihydrate 、 1-methyl-2-(phenylazo)imidazole 以 甲醇 为溶剂， 以65%的产率得到di-thiocyanato-bis[1-methyl-2-(phenylazo)imidazole]zinc(II)
  参考文献：
  名称：

  Studies on the zinc(II)-azoimine system. Single-crystal X-ray structure of Zn(MeaaiMe)Cl2·H2O and Zn(HaaiMe)2(NCS)2 (MeaaiMe=1-methyl-2-(p-tolylazo)imidazole, HaaiMe=1-methyl-2-(phenylazo) imidazole)

  摘要：

  Dichloro zinc(II) complexes of 1-alkyl-2-(arylazo)imidazole, Zn(RaaiR')Cl-2.H2O (RaaiR'=p-R-C6H4-N = N-C3H2N-N(1)R': R = H, Me, Cl and R'= Me, CH2CH3, CH2Ph) are characterized by elemental analysis, IR, UV-Vis and H-1 NMR spectral data. The reaction of ZnCl2 and RaaiR' (excess) in the presence of NH4CNS has synthesized Zn(RaaiR')(2)(NCS)(2). The single-crystal X-ray structure of dichloro-{1-methyl-2-(p-tolylazo)imidazole)zinc(II)-monohydrate (Zn(MeaaiMe)Cl-2.H2O) suggests that the complex is distorted trigonal bipyramidal (TBP) around Zn(II) with a trigonal plane constituted from Cl(l), Cl(2), N(imidazole) (N(l)). Molecular packing shows a 1D chain via a hydrogen bonded eight membered ring. The X-ray structure of di-thiocyanatobis- {1-methyl-2-(phenylazo)-imidazole) zinc(II) also shows a distorted TBP around Zn(II). The coordination sphere is ZnN3 type: where one of the ligands acts as a bidentate chelating agent and the second one coordinates via only the imidazole-N along with two N-centers from the NCS group. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(03)00111-6