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Zeitschrift für Kristallographie - Crystalline Materials

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Volume 229, Issue 9

Issues

Crystal architecture of the low melting nitrogen heterocycles tetrafluoropyrimidine and trifluorotriazine

Vera Vasylyeva / Klaus Merz
Published Online: 2014-08-13 | DOI: https://doi.org/10.1515/zkri-2014-1730

Abstract

In situ cryo-crystallization was used to obtain single crystals of the low-melting tetrafluoropyrimidine and trifluorotriazine in order to explore the molecular aggregation of nitrogen-containing aromatic compounds with weak directing substituents in the solid state. A comparative crystallographic study of the series hexafluorobenzene, pentafluoropyridine, tetrafluoropyrimidine and trifluorotriazine was performed to clarify an influence of a successive substitution of C-F groups by a further nitrogen atom on the crystal architecture. Due to the absence of the hydrogen atoms different supramolecular motifs based on short F···F contacts were observed in all crystal structures.

This article offers supplementary material which is provided at the end of the article.

Keywords: crystal structure; fluorine-fluorine interactions; in situ cryo-crystallization; nitrogen heterocycles

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About the article

Corresponding author: Vera Vasylyeva, Inorganic Chemistry I, Ruhr-University Bochum, Universitaetstr. 150, 44801 Bochum, Germany, E-mail:


Received: 2014-01-15

Accepted: 2014-06-24

Published Online: 2014-08-13

Published in Print: 2014-09-01


Citation Information: Zeitschrift für Kristallographie - Crystalline Materials, Volume 229, Issue 9, Pages 603–608, ISSN (Online) 2196-7105, ISSN (Print) 2194-4946, DOI: https://doi.org/10.1515/zkri-2014-1730.

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