CRYSTAL AND MOLECULAR-STRUCTURE OF (NITRATO)(1-METHYLCYTOSINE)SILVER(I) - UNUSUAL CROSS-LINKED POLYMER CONTAINING A HEAVY-METAL AND A MODIFIED NUCLEIC-ACID CONSTITUENT
CRYSTAL AND MOLECULAR-STRUCTURE OF (NITRATO)(1-METHYLCYTOSINE)SILVER(I) - UNUSUAL CROSS-LINKED POLYMER CONTAINING A HEAVY-METAL AND A MODIFIED NUCLEIC-ACID CONSTITUENT
复制标题
DOI：
10.1021/ic50192a007
复制
发表时间：
1979-01-01
影响因子：
4.6
通讯作者：
MARZILLI, LG
中科院分区：
文献类型：
--
作者：
KISTENMACHER, TJ;ROSSI, M;MARZILLI, LG
本文报道了（硝酸根）（1-甲基胞嘧啶）银（I）配合物的单晶X射线衍射分析。配合物的晶体是三斜晶系，具有以下晶体数据：a= 10.474（3）N，B= 11.141（3）N，c= 3.642（1）N，a= 97.33（2），N = 95.82（2），N = 76.76（2），V= 409.2 A3，空间群Pi，Z= 2 [对于[Ag（C5 H7 N3 O）（NO3）]，在自动衍射仪上以6-26扫描模式收集强度数据。结构用Patterson和Fourier方法求解，并用全矩阵最小二乘法修正，R值为0.033。晶体中的填充图案是。二聚体[Ag（1-甲基胞嘧啶）（NO3）] 2复合物，其中每个1-甲基胞嘧啶残基通过两个Ag+离子通过碱基结合位点N（3）和O（2）双重交联。该二聚体单元沿着晶体学c轴通过第二种类型的Ag-0（2）键和碱基-碱基重叠的传播产生双链交联聚合物，其中碱基残基稍微不对齐。试图将这些观察到的性质与Ag（I）与双链体DNA中高GC含量区域的结合联系起来。
A single-crystal X-ray diffraction analysis on the complex (nitrato)(1-methylcytosine) silver (I) is presented. Crystals of the complex are triclinic with the following crystal data: a= 10.474 (3) Á, b= 11.141 (3) Á, c= 3.642 (1) Á, a= 97.33 (2), ß= 95.82 (2),= 76.76 (2), V= 409.2 A3, space group Pi, Z= 2 [for [Ag (C5H7N30)(N03)], mol wt 295.0], Intensity data were collected in the 6-26 scan mode on an automated diffractometer. The structure was solved by Patterson and Fourier methods and refined by full-matrix least squaresto an R value of 0.033. The packing motif in the crystal is that of a. dimeric [Ag (1-methylcytosine)(N03)] 2 complex with each of the 1-methylcytosine residues doubly cross-linked by two Ag+ ions through the base binding sites N (3) and 0 (2). Propagation of this dimeric unit along the crystallographic c axis via a second type of Ag-0 (2) bond and base-base overlap yields a two-stranded, cross-linked polymer with the base residues slightly out of register. An attempt is made to relate these observed properties to the binding of Ag (I) to regions of high GC content in duplex DNA.