核酸碱基与三价锑的相互作用研究（AdeH_2）SbCl_5·H_2O、（AdeH）_2SbCl_5·H_2O和（AdeH）〔Sb（pdta）〕·2H_2O的结构

Abstract

本文报道（AdEH2）SbCl_5·H_2O（1）、（AdEH）_2SbCl_5·H2O（2）（AdE：腺嘌呤）和（AdEH）［Sb（PdTA）］·2H_2O（3）（H_4PdTA：丙二胺四乙酸）的晶体结构。在化合物（1）中，其分子结构由二氢腺嘌呤阳离子、SbCl52-和结晶水组成。阴离子中Sb（Ⅲ）与氯原子形成畸变八面体配位，并以共顶点方式形成链状结构。在化合物（2）中包含一氢腺嘌呤阳离子，SbCl52-和结晶水，Sb（Ⅲ）也是与氯原子配位形成畸变八面体结构，但以共棱方式形成二聚体。在化合物（3）中，结构包括一氢腺嘌呤阳离子、［Sb（PdTA）］￣-和二个结晶水。在上述三个晶体结构中，水分子均与阴阳离子形成氢键。简短讨论了Sb（Ⅲ）与核酸碱基配位的可能性。晶体学参数：（1）（AdEH_2）SbCl_5·H_2O，C_5H_9Cl_5n_5OSb，M_r＝454.18，P2_1/C，A＝11.043（1），b＝7.646（1），C＝17.544（1），β＝103.98（1）°，V＝1437.5，z＝4，dC＝2.098，d_O＝2.08（1）gCM￣-3，λ（MOk_α）＝0.71073，μ＝28.613CM￣（-1），f（

AdeH_2 )SbCl5· H_2O (C_5H_9Cl_5N_5OSb) , Mr=454.18 .P21/C,α=11.043 (1) .b=7.646 (1), c=17.544(1) , β=103.98(1)°, V= 1437.5 .Z=4, Dc= 2.098, Do=2.08 (1) gcm-3 , λ(MoKα)= 0.71073.P= 28.613 Cm-1, F(000) = 872 .T= 297K , R= 0.033 For 2084 independent observed reFlections; (2) (AdeH)_2SbCl_5·H_2O (C10H14C15N10OSb) ,M_r=589.30,P, α=8.696(1), b=9.144(1) , c=12.763(2) , α=79.50(2) ,β=74.79(1) ,γ=83.50(2)°, V=960.6 , Z=2, D_c= 2.037, Do= 2.03(1) gcm-3 ,λ(MoKα) = 0.71073, μ=21.718 cm-1 , F(000) = 576, T= 297K , R= 0.030 For 3514 independent observed reFlections; (3) (AdeH)[Sb (pata)]· ZH_2O (C_16H_21N_7O_10Sb) .Mr = 593.14 , P21/n, α=6.827 (4) , b=24.565(4) , c=12.904(4) , β=95.23(2)°, V=2155.1, Z=4, D_c=1.828, Do= 1.82(1) gcm￣-3 , A(MoKα) =0.71073, μ=13.535 cm-1, F(000) = 1188 , T=297K , R=0.065 For 2857 independent observed reFlections.The structure of ( 1) is built up of diprotonated adenine cations, water molecules and pentachloroantimonate anion chains,in which the Sb atoms are distorted octahedrally coordinated.The structure of (2) is built up of monoprotonated adenine cations, water molecules and pentachloroantimonate anion dimers, in which the Sb atoms are also distorted octahedrally coordinated.The structure of (3) is built up of monoprotonated adenine cations, water molecules and [Sb(pdta)]- anions.All the water molecules in the three structures Form hydrogen bonds between the counterions.The possibility of coordination between Sb( Ⅲ ) and nucleic acid bases is brieFly discussed.