[9(E)-phenanthrene-9,10-dione[(1Z)-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]hydrazone][CuBr2] | 1218771-43-7

• 英文名称: [9(E)-phenanthrene-9,10-dione[(1Z)-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]hydrazone][CuBr2]
• CAS: 1218771-43-7
• 化学式: Br₂Cu*C₂₅H₂₂N₃O
• 分子量: 603.823
• InChiKey: NTEBMCNOGJQWNG-XVKSGSRPSA-M

反应信息

• 作为产物：
  描述：

  copper(II) bromide hydrate 、 9(E)-phenanthrene-9,10-dione[(1Z)-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]hydrazone monohydrate 以 氯仿 、 丙酮 为溶剂， 以80%的产率得到[9(E)-phenanthrene-9,10-dione[(1Z)-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]hydrazone][CuBr2]
  参考文献：
  名称：

  Synthesis, crystal structure, and spectra of 9(E)-phenanthrene-9,10-dione[(1Z)-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]hydrazone and its cation-anion complex with copper(I) bromide

  摘要：

  The reaction of 1-hydrazino-3,3-dimethyl-3,4-dihydroisoquinoline with 9,10-phenanthrenequinone gave (9E)-phenanthrene-9,10-dione[(1Z)-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]hydrazone (L). The reaction of L with copper(II) bromide gave the complex (LH)[CuBr(2)]. The crystal structures of the monohydrate L center dot H(2)O (I) and the isolated complex (LH)[CuBr(2)] (II) were determined by X-ray diffraction. The structural units of I are pseudo-centrosymmetric dimers in which the L and water molecules are combined by strong hydrogen bonds. The active H atom is located at the N(1) atom of the isoquinoline fragment of the L molecule. The L molecule occurs in the crystal as the cis, trans isomer with respect to exocyclic C=N bonds at the isoquinoline and phenanthrenequinone fragments, respectively. Complex II has a cation-anion structure. The LH(+) cation as the cis, cis isomer is protonated at N(2) and stabilized by two intramolecular hydrogen bonds. In the CuBr (2) (-) anion, the copper atom in the oxidation state +1 has a linear coordination, the C-Br bond length is 2.185(4) +/- 0.005 , and the BrCuBr angle is 179.8(4)A degrees. The main ion-ion interactions in structure II are shortened contacts involving bromine atoms, which combine cations and anions into a three-dimensional framework.

  DOI：

  10.1134/s0036023609060126