[Cr(bis(3,5-dimethylpyrazol-1-yl)acetic acid)Cl3] | 1564241-88-8

• 英文名称: [Cr(bis(3,5-dimethylpyrazol-1-yl)acetic acid)Cl3]
• 英文别名: [Cr(HL)Cl₃]；[Cr(bis(3,5-dimethylpyrazol-1-yl)acetic acid)Cl₃]
• CAS: 1564241-88-8
• 化学式: C₁₂H₁₆Cl₃CrN₄O₂
• 分子量: 406.64
• InChiKey: JBUBHHRORFBYKF-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  chromium(III) chloride hexahydrate 、 bis(3,5-dimethylpyrazol-1-yl)acetic acid 以 乙腈 为溶剂， 生成 [Cr(bis(3,5-dimethylpyrazol-1-yl)acetic acid)Cl3]
  参考文献：
  名称：

  Chromium coordination compounds with bis(3,5-dimethylpyrazol-1-yl)acetic acid or its anion

  摘要：

  Two chromium(III) coordination compounds synthesized from a solution of the tridentate (NON) ligand bis(3,5-dimethylpyrazol-1-yl)acetic acid (HL' Hbdrnpza), namely [Cr(L)(2)](H(NO3)2) (1) and [Cr(HL)CI3] (2), are reported. The centrosymmetric central coordination sphere in compound I is fulfilled by two deprotonated ligands L- giving sterically closed coordination shell with pink-orange colored CrO2N4 chromophore. The coordination cation is accompanied by the dinitratohydrogenate(1-) counter anion. Contrary to compound 1, the compound 2 shows only one Hbdmpza ligand, which is protonated HI, though with the same three coordinate N,O,N atoms. Both title compounds 1 and 2 were isolated from the acetonitrile solution with the starting counter-anion remaining in the final product as a new counter anion H(NO3)(2-) in 1, or the coordinated chloride anions in 2 with green colored CrON2Cl3 chromophore. We were able to isolate the single crystals of I, while only polycrystalline material for 2. Nevertheless, the crystal structure of 2 containing two octahedral coordination molecules in the asymmetric unit was determined via the combination of DFF calculations and the powder XRD analysis. Though both compounds reveal a mononuclear octahedral coordination motif, the catalytic accessibility of the compound 2, due to only one tridentate ligand L (HL) per one Cr(III) centre clearly promises more to this aspect. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.12.029