Interplay of carbonylacarbonyl, CHa=O and CHa=I interactions in hierarchical supramolecular assembly of tartaric anhydrides a Tartaric acid and its O-acyl derivatives: Part 11

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 dnorm representation and decomposed finger print plots was used to find out th...

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Published inJournal of molecular structure Vol. 1017; pp. 98 - 105
Main Authors Madura, Izabela D, Zachara, Janusz, Hajmowicz, Halina, Synoradzki, Ludwik
Format Journal Article
LanguageEnglish
Published 13.06.2012
Subjects
Anhydrides
Architecture
Carbonyls
Derivatives
Fingers
Molecular structure
Ribbons
Rods
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Summary: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 dnorm representation and decomposed finger print plots was used to find out the types of weak but directional carbonylacarbonyl, CHa=O and CHa=I interactions. The major interactions at the subsequent levels of the crystal architecture were identified. The interplay between carbonylacarbonyl interactions and CHa=O 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.
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ISSN:0022-2860
DOI:10.1016/j.molstruc.2012.02.053