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Crystal structure and enantiomeric layer disorder of a copper(I) nitrate π‐coordination compound
Acta Crystallographica Section B ( IF 2.684 ) Pub Date : 2021-03-17 , DOI: 10.1107/s2052520621001244
Dorota A. Kowalska , Vasyl Kinzhybalo , Yuriy I. Slyvka , Marek Wołcyrz

The novel π‐coordination compound [CuI(mdmphast)NO3], where mdmphast = 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(mdmphast)NO3] chains, connected by weak interactions, produce layers which can exist in two enantiomeric forms, one of which predominates.

中文翻译:

硝酸铜(I)π配位化合物的晶体结构和对映体层无序

新颖的π配位化合物[铜- dmphast)NO 3 ],其中- dmphast = 5-(烯丙基硫基)-1-(3,5-二甲基苯基)-1 ħ四唑是通过单晶X射线衍射表征的,并在非中心对称的空间群中结晶。此外,在这组材料中,首次观察到并描述了在相互空间部分中的X射线扩散散射条纹。这为深入了解标题化合物的局部结构提供了可能性。关于弥散散射起源的猜想是从平均结构解得出的。然后使用局部结构建模进行了确认。延伸的[Cu(m - dmphast)NO 3 ] 链通过弱相互作用连接,产生的层可以两种对映体形式存在,其中一种占优势。
更新日期:2021-04-12
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