Cd(NCS)2(3-chloropyridine)4 | 1470025-95-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Cd(NCS)2(3-chloropyridine)4
• CAS: 1470025-95-6
• 化学式: C₂₂H₁₆CdCl₄N₆S₂
• 分子量: 682.763
• InChiKey: GSEZYATWSCLZGA-UHFFFAOYSA-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：

  3-氯吡啶 、 cadmium(II) thiocyanate 以 水 为溶剂， 反应 24.0h， 生成 Cd(NCS)2(3-chloropyridine)4
  参考文献：
  名称：

  The influence of the metal cation and the N-donor ligand on the reactivity and structures of Cd and Zn coordination compounds with 3-bromopyridine and 3-chloropyridine

  摘要：

  Reaction of cadmium thiocyanate and zinc thiocyanate with an excess of 3-bromopyridine and 3-chloropyridine leads to single crystals of four coordination compounds of composition M(NCS)(2)(3-bromopyridine)(4) (M = Cd (Cd1-Br), Zn (Zn1-Br)) and M(NCS)(2)(3-chloropyridine)(4) (M = Cd (Cd1-Cl), Zn (Zn1-Cl)). These compounds forms pairs of isotypic compounds (Cd1-Br and Zn1-Br in space group P-1 and Cd1-Cl and Zn1-Cl in space group C2/c) in which the metal cation are octahedral coordinated by two terminal thiocyanato anions and four neutral N-donor ligands into discrete complexes. If less N-donor ligands are used in the synthesis, compounds of composition M(NCS)(2)(3-bromopyridine)(2) (M = Cd (Cd2-Br), Zn (Zn2-Br)) and M(NCS)(2)(3-chloropyridine)(2) (M = Cd (Cd2-Cl), Zn (Zn2-Cl)) are obtained. In the crystal structure of the isotypic compounds Cd2-Br and Cd2-Cl (monoclinic space group P2(1)/c) the metal cations are octahedral coordinated by two N-donor ligands and four thiocyanato anions and are linked into chains by the anionic ligands. In contrast, the Zn compounds Zn2-Br and Zn2-Cl are not isotypic but form similar discrete complexes in which the metal cations are tetrahedral coordinated by two terminal N-bonded thiocyanato anions and two neutral N-donor ligands. On heating compounds 1 half of the ligands are removed and a transformation into compounds 2 is observed. The structures and reactivity of these compounds are discussed and compared with those of related compounds. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.07.038