cis-[PtCl2(cyclobutylamine)(DMHD)]*H2O | 949139-00-8

• 英文名称: cis-[PtCl2(cyclobutylamine)(DMHD)]*H2O
• CAS: 949139-00-8
• 化学式: C₁₂H₂₃Cl₂NO₂Pt*H₂O
• 分子量: 497.321
• InChiKey: VLHPISALYXNWSD-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：
  None
• 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：

  K{Pt(c-C4H7NH2)Cl3}*0.5H2O 、 水 、 2,5-二甲基-3-己炔-2,5-二醇 以 水 为溶剂， 生成 cis-[PtCl2(cyclobutylamine)(DMHD)]*H2O
  参考文献：
  名称：

  Structural differences in the coordination mode of an acetylenic ligand in two cis-Pt(amine)(alkyne)Cl2 complexes: The crystal structures of cis-Pt(cyclobutylNH2)(DMHD)Cl2 and cis-Pt(2,5-lutidine)(DMHD)Cl2 (DMHD=dimethylhexynediol)

  摘要：

  The crystal structures of two Pt(II) amine-alkyne complexes cis-Pt(cyclobutylNH(2))(DHMD)Cl-2 (I) and cis-Pt(2,5-lutidine)(DMHD)Cl-2 (II) were determined (DMHD = (CH3)(2)(OH)C-C C-C(OH)(CH3)(2)). The DMHD ligand in I is perpendicular to the Pt(II) plane and the mid-point of the C C bond occupies the fourth corner of the square plane. This geometry of the DMHD ligand in I is similar to the few other Pt(R-C C-R)Cl2L (L = amine or Cl) complexes, where the two acetylenic carbon atoms are roughly equally located on both sides of the Pt plane. The Pt-C bonds are 2.161(13) and 2.100(14) angstrom, while the Pt-Cl bond distances are 2.298(4) and 2.332(5) angstrom. The Pt-MP (midpoint of the C C bond) is 2.044 angstrom. In II, the steric hinderance of the 2,5-lutidine ligand located in cis position is very important and the geometry of bonded DMHD is quite different. The alkyne ligand is pushed away from 2.5-lutidine. so that one of the C atoms of the triple bond lies in the Pt(II) plane. A linear trans Cl-Pt-C angle (175.2(3) angstrom), a lengthening of the Pt-Cl bond (2.433(4) angstrom) located trans to the Pt-C bond and a shortening of the latter (2.021(14) angstrom) are observed in complex II. There results are without precedent in the literature. The two structures are disordered over two positions, but the low R factors (respectively 3.61% and 3.44% for I and II) confirm the reliability of the results. A complete description of the disordered arrangement is provided for both complexes. Crystal I crystallized with a molecule of H2O and the two structures are stabilized by an extensive H-bonding system. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.04.020