Kowalska Dorota A, Kinzhybalo Vasyl, Slyvka Yuriy I, Wołcyrz Marek
Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Okólna 2, Wrocław, 50-422, Poland.
Department of Inorganic Chemistry, Ivan Franko National University of Lviv, Kyryla i Mefodiya Str., 6, 79005, Ukraine.
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2021 Apr 1;77(Pt 2):241-248. doi: 10.1107/S2052520621001244. Epub 2021 Mar 13.
The novel π-coordination compound [Cu(m-dmphast)NO], where m-dmphast = 5-(allylthio)-1-(3,5-dimethylphenyl)-1H-tetrazole, is characterized using single-crystal X-ray diffraction and crystallizes in a noncentrosymmetric space group. Additionally, for the first time in this group of materials, the streaks of X-ray diffuse scattering in the reciprocal space sections were observed and described. This gave the possibility for a deeper insight into the local structure of the title compound. The conjecture about the origin of diffuse scattering was derived from average structure solution. It was then confirmed using the local structure modelling. The extended [Cu(m-dmphast)NO] chains, connected by weak interactions, produce layers which can exist in two enantiomeric forms, one of which predominates.
新型π-配位化合物[Cu(m-dmphast)NO]（其中m-dmphast = 5-(烯丙硫基)-1-(3,5-二甲基苯基)-1H-四唑）通过单晶X射线衍射进行表征，并结晶于一个非中心对称空间群中。此外，在这组材料中首次观察并描述了倒易空间截面中的X射线漫散射条纹。这为更深入了解标题化合物的局部结构提供了可能。关于漫散射起源的推测源自平均结构解。然后通过局部结构建模对其进行了证实。通过弱相互作用连接的扩展[Cu(m-dmphast)NO]链形成了层，这些层可以以两种对映体形式存在，其中一种占主导。
