Interplay of carbonyl-carbonyl, CH鈰疧 and CH鈰€ interactions in hierarchical supramolecular assembly of tartaric anhydrides - Tartaric acid and its O-acyl derivatives: Part 11

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• 作者：Izabela D. Madura ; ^{izabela@ch.pw.edu.pl} ; Janusz Zachara ; Halina Hajmowicz ; Ludwik Synoradzki
• 关键词：Carbonyl&ndash ; carbonyl interactions ; Hydrogen bond ; Hirshfeld surface ; Rod symmetry groups ; Acyltartaric anhydride ; Hexagonal packing of rods
• 刊名：Journal of Molecular Structure
• 出版年：2012
• 期刊代码：62_00222860
• 类别：ch
• 出版时间：13 June, 2012
• 卷：1017
• 期：Complete
• 页码：98-105
• 文件大小：1330 K

摘要

The detailed analysis of molecular and crystal structure of the O-acyltartaric anhydrides is presented. The role of both intra- and intermolecular weak interactions is discussed. The Hirshfeld surfaces analysis in form of d_norm representation and decomposed finger print plots was used to find out the types of weak but directional carbonyl-carbonyl, CH鈰疧 and CH鈰€ interactions. The major interactions at the subsequent levels of the crystal architecture were identified. The interplay between carbonyl-carbonyl interactions and CH鈰疧 hydrogen bonds both at the molecular level as well as in basic supramolecular motives was analyzed. In all cases the primary supramolecular motif was found to be the ribbon showing the p2₁ rod group symmetry. The key role of the ribbon motif is reflected in the hexagonal packing of rods.