(R,R)-N,N’-二苯甲醛-1,2-环己二胺席夫碱的结构及与DNA的结合性能

Crystal Structure and DNA Binding Studies of (R,R)-N,N'-bis(benzaldehyde)-1,2-cyclohexanediamine Schiff Base

合成了目标化合物[(R,R)-N,N’-二苯甲醛-1,2-环己二胺席夫碱],用熔点、红外、核磁、质谱、旋光进行目标化合物的表征;用X-单晶衍射进行目标化合物的晶体结构分析,发现目标化合物为正交晶系,空间群为P212121,晶胞参数:a=9.021 3(11),b=9.448 2(12),c=20.163(3),α=90.00°,β=90.00°,γ=90.00°,Z=4,V=1 718.6(4)3,Dc=1.122 mg.m-3,μ=0.066 mm-1,F(000)=624。分子中存在两个平面,两个平面夹角为82.11°,苯环1(C15,C16,C17,C18,C19和C20)与双键C14 N2之间不存在π-π共轭,苯环2(C8,C9,C10,C11,C12,C13)与双键C7 N1之间不存在π-π共轭。用电子光谱、荧光光谱、粘度法研究了目标化合物同DNA的结合性能,发现目标化合物与DNA之间除了存在弱的插入结合外,还存在沟面结合。

The title compound [（1R,2R）-（N,N＇-bis-benzylidene）-1,2-cyclohexanediamine] was prepared and characterized by IR spectra,1 H NMR spectra.It is found that the title compound belongs to the orthorhombic system,space group P212121,with a=9.021 3（11）,b=9.448 2（12）,c=20.163（3）,α=90.00°,β=90.00°,γ=90.00°,Z=4,V=1 718.6（4）3,Dc=1.122 mg·m-3,μ=0.066 mm-1,F（000）=624.The molecular geometry is not coplanar.There are no conjugation in system of bond C14—N2 and P1,bond N1—C7 and P2.MS spectra and single-crystal X-ray diffraction.The paper studied its DNA binding properties.The binding of the title compound to DNA was investigated by absorption,emission, and viscosity measurements.Results suggest that the title compound binds to DNA with a non-classical intercalative mode or partial intercalative mode.