Crystal Structure and Interaction with DNA of [Ni(phen)(mal)(H_2O)_2]·3H_2O  

作　　者：高恩君 程卯生 于影 孙亚光 

机构地区：[1]Laboratory of Coordination Chemistry,Shenyang Institute of Chemical Technology [2]College of Pharmaceutical Engineering,Shenyang Pharmaceutical University

出　　处：《Chinese Journal of Structural Chemistry》2007年第1期59-62,共4页结构化学（英文）

基　　金：Project was supported by the Natural Science Foundation of China (20671064), Natural Science Foundation of Liaoning Province (20052014) and the Ph. D. Programs Foundation of China

摘　　要：A new complex [Ni（phen）（mal）（H2O）2]·3H2O （phen = 1,10-phenanthroline, real^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,α = 8.937（3）, b = 12.163（5）, c = 9.725（3） A,β = 119.36°, C15H19N2O9Ni,Mr= 430.03, Z = 2, F（000） = 446, V= 921.3 A3, Dc = 1.550 g/cm^3, μ= 1.104 mm^-1, -10≤h≤10, -12≤k≤ 14, -11≤1≤7, R = 0.0261 and wR = 0.0609 for 4376 （Rint = 0.0203） independent reflections and 1631 observed ones （I 〉 2σ（I））. Ni（Ⅱ） exhibits an octahedral coordination geometry, with hydrogen bonds and π-π interactions stabilizing the whole structure. UV spectrum of the complex interacting with protamine DNA indicates that the title compound interacts with DNA via insertion mode with bonding constant Kb of 1. 11 × 10^4.A new complex [Ni（phen）（mal）（H2O）2]·3H2O （phen = 1,10-phenanthroline, real^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,α = 8.937（3）, b = 12.163（5）, c = 9.725（3） A,β = 119.36°, C15H19N2O9Ni,Mr= 430.03, Z = 2, F（000） = 446, V= 921.3 A3, Dc = 1.550 g/cm^3, μ= 1.104 mm^-1, -10≤h≤10, -12≤k≤ 14, -11≤1≤7, R = 0.0261 and wR = 0.0609 for 4376 （Rint = 0.0203） independent reflections and 1631 observed ones （I 〉 2σ（I））. Ni（Ⅱ） exhibits an octahedral coordination geometry, with hydrogen bonds and π-π interactions stabilizing the whole structure. UV spectrum of the complex interacting with protamine DNA indicates that the title compound interacts with DNA via insertion mode with bonding constant Kb of 1. 11 × 10^4.

关 键 词：Ni（ Ⅱ ） molecular structure weak interaction DNA 

分 类 号：Q523[生物学—生物化学] Q503