[Ni(2,2':6',2''-terpyridine)((4,5-dihydroxycyclopent-4-ene-1,2,3-trione(-2H)))(H2O)]*H2O | 854629-89-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Ni(2,2':6',2''-terpyridine)((4,5-dihydroxycyclopent-4-ene-1,2,3-trione(-2H)))(H2O)]*H2O
• 英文别名: [Ni(2,2':6',2''-terpy)(C5H5)(H2O)]*H2O
• CAS: 854629-89-3
• 化学式: C₂₀H₁₃N₃NiO₆*H₂O
• 分子量: 468.045
• InChiKey: ABXHDOAWSKICGE-UHFFFAOYSA-L

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：

  α,α,α-三联吡啶 、 nickel(II) nitrate hexahydrate 、 dipotassium croconate 以 水 为溶剂， 以99%的产率得到[Ni(2,2':6',2''-terpyridine)((4,5-dihydroxycyclopent-4-ene-1,2,3-trione(-2H)))(H2O)]*H2O
  参考文献：
  名称：

  Synthesis, spectroscopic and structural characterization of [Cu(phen)(C5O5)(H2O)]·H2O, [Ni(terpy)(C5O5)(H2O)]·H2O and [Ni(terpy)2](NO3)2·0.5H2O

  摘要：

  The new mononuclear complexes [Cu(phen)(C5O5)(H2O)]center dot H2O (1), [Ni(terpy)(C5O5)(H2O)]center dot H2O (2) and [Ni(terpy)(2)](NO3)(2)center dot 0.5H(2)O (3) [phen = 1, 10-phenanthroline, C5O52- = dianion of the 4,5-dihydroxycyclopent-4-ene- 1,2,3-trione and terpy = 2,2:6',2"-terpyridine] have been synthesized and characterized by single-crystal X-ray diffraction. The copper atom of 1 has a distorted square pyramidal environment with two phen-nitrogen and two croconate-oxygen atoms building the equatorial plane and a water molecule in the apical position. The nickel atom of 2 exhibits a distorted Ni3O3 octahedral coordination, which may be described either as tetragonally compressed or as skewed trapezoidal bipyramidal. The nickel atom of 3 is situated on a twofold axis and it has a distorted NiN6 octahedral coordination, with an appreciable tetragonal compression along the N(2)-Ni-N(4) axis [N(2) and N(4) being the central terpy-nitrogens]. The structures of 1 and 2 are compared with related ones from the literature and their potential use as ligands is analyzed. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.01.069