Crystal Structure And Interaction With Dna Of [Ni(Phen)(Mal)(H2o)(2)]Center Dot 3h(2)O

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY(2007)

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摘要
A new complex [Ni(phen)(mal)(H2O)(2)]center dot 3H(2)O (phen = 1,10-phenanthroline, mal(2-) = malonic acid) has been synthesized by the reaction of nickel nitrate, phen and malonic acid. EA, IR spectra and X-ray single-crystal diffraction were carried out to determine the composition and crystal structure of the title complex. Crystal data: monoclinic system, space group P2/c, a = 8.937(3), b = 12.163(5), c = 9.725(3) angstrom, beta = 119.36 degrees, C15H19N2O9Ni, M-r = 430.03, Z = 2, F(000) = 446, V = -921.3 angstrom(3), D-c = 1.550 g/cm(3), mu = 1.104 mm(-1), -10 <= h <= 10, -12 <= k <= 14, -11 <= l <= 7, R = 0.0261 and wR = 0.0609 for 4376 (R-int = 0.0203) independent reflections and 1631 observed ones (I > 2 sigma(I)). Ni(II) exhibits an octahedral coordination geometry, with hydrogen bonds and pi-pi interactions stabilizing the whole structure. UV spectrum of the complex interacting with prolamine DNA indicates that the title compound interacts with DNA via insertion mode with bonding constant K-b of 1.11 X 10(4).
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关键词
Ni(II), molecular structure, weak interaction, DNA
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