Savchenkov Anton, Demina Ludmila, Safonov Alexey, Grigoriev Mikhail, Solovov Roman, Abkhalimov Evgeny
Samara National Research University, Samara 443011, Russian Federation.
A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Science, Leninskii pr. 31-4, Moscow 119071, Russian Federation.
Acta Crystallogr C Struct Chem. 2020 Feb 1;76(Pt 2):139-147. doi: 10.1107/S2053229619016656. Epub 2020 Jan 16.
Two new gold(III) complexes with adenine or guanine nitrogenous bases as counter-cations were synthesized. These are 6-amino-7H-purine-1,9-diium tetrachloridogold(III) chloride monohydrate, (CHN)[AuCl]Cl·HO, 1, and 2-amino-6-oxo-6,7-dihydro-1H-purin-9-ium tetrachloridogold(III) hemihydrate, (CHNO)[AuCl]·0.5HO, 2. Their crystal structures were studied using single-crystal X-ray diffraction and FT-IR spectroscopic techniques. The arrangement of species in the studied crystal structures implies π-stacking interactions, as well as concomitant C-H...π interactions, hydrogen bonds and other types of noncovalent interactions, which were studied qualitatively and quantitatively using the method of molecular Voronoi-Dirichlet polyhedra. The variation of the nitrogenous base from adenine to guanine results in evident differences in the packing of the species in the crystals of 1 and 2. The splitting and shifting of bands in the FT-IR spectra of the title compounds reveals several features representative of noncovalent interactions in their crystal structures.
合成了两种以腺嘌呤或鸟嘌呤含氮碱基作为抗衡阳离子的新型金（III）配合物。它们分别是6-氨基-7H-嘌呤-1,9-二鎓四氯合金（III）氯化物一水合物，(C₅H₅N₅)[AuCl₄]Cl·H₂O，1，以及2-氨基-6-氧代-6,7-二氢-1H-嘌呤-9-鎓四氯合金（III）半水合物，(C₅H₄N₄O)[AuCl₄]·0.5H₂O，2。使用单晶X射线衍射和傅里叶变换红外光谱技术研究了它们的晶体结构。所研究晶体结构中物种的排列意味着存在π-堆积相互作用，以及伴随的C-H...π相互作用、氢键和其他类型的非共价相互作用，使用分子Voronoi-Dirichlet多面体方法对这些相互作用进行了定性和定量研究。含氮碱基从腺嘌呤到鸟嘌呤的变化导致1和2的晶体中物种堆积存在明显差异。标题化合物的傅里叶变换红外光谱中谱带的分裂和位移揭示了其晶体结构中几种代表非共价相互作用的特征。
