Chodkiewicz Michał Leszek, Makal Anna, Gajda Roman, Vidovic Dragoslav, Woźniak Krzysztof
Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Żwirki i Wigury 101, 02-093 Warszawa, Poland.
Division of Chemistry and Biological Chemistry, School of Physical and Mathematical Sciences, Nanyang Technical University, 21 Nanyang Link, 637371 Singapore, Singapore.
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Aug 1;72(Pt 4):571-83. doi: 10.1107/S2052520616005552.
Two-dimensional diffuse X-ray scattering from an organic salt [N-(3-(2,6-dimethylanilino)-1-methylbut-2-enylidene)-2,6-dimethylanilinium chloride, C21H27N2(+)Cl(-)] was interpreted with the help of an analytical model of diffuse scattering. An analysis of the relationship between symmetry and diffuse scattering for the studied system has been undertaken. The symmetry of the system explains the extinction pattern, taking the form of curves, on the diffuse scattering planes. We have also tested the relationship between the average structure model and scattering intensities. Two models, differing in their representation of overlapping atoms, were used. In the case of diffuse scattering the difference between resulting intensities is immense, while for the Bragg intensities it is much smaller. This sensitivity of diffuse scattering could potentially be used to improve the description of the average structure.
借助漫散射分析模型对一种有机盐[N-(3-(2,6-二甲基苯胺基)-1-甲基丁-2-烯基亚基)-2,6-二甲基苯胺氯化物，C21H27N2(+)Cl(-)]的二维漫散X射线散射进行了解释。对所研究体系的对称性与漫散射之间的关系进行了分析。体系的对称性解释了漫散射平面上呈曲线形式的消光图案。我们还测试了平均结构模型与散射强度之间的关系。使用了两种在重叠原子表示方式上不同的模型。在漫散射情况下，所得强度之间的差异很大，而对于布拉格强度，差异要小得多。漫散射的这种敏感性有可能用于改进对平均结构的描述。
