Different supramolecular interactions mediated by bromine atoms in the crystal structures of three anisole derivatives

Nestler, Robert and Schwarzer, Anke and Gruber, Tobias (2018) Different supramolecular interactions mediated by bromine atoms in the crystal structures of three anisole derivatives. Acta Crystallographica Section C Structural Chemistry, C74 (3). pp. 283-288. ISSN 2053-2296

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Abstract

Three anisole building blocks featuring bishydroxymethyl or bisbromomethyl pendants have been analyzed with regard to their molecular structure and packing behaviour. A typical supramolecular pattern we found were C—H···π interactions responsible for the generation of molecular stacks. π···π Interactions were only observed in the absence of bromine indicating a striking influence on the distances between adjacent aromatic moieties. When comparing the bishydroxymethyl compound with the respective bisbromomethyl compound we found that the strong O—H···O in the zigzag arrangement in the first is replaced by C—H···Br interactions in the second without changing the general packing.

Keywords:anisole, X-ray diffraction, bromine bromine interactions, conformational studies
Subjects:F Physical Sciences > F131 Crystallography
F Physical Sciences > F130 Structural Chemistry
F Physical Sciences > F160 Organic Chemistry
Divisions:College of Science > School of Pharmacy
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ID Code:31026
Deposited On:09 Mar 2018 09:18

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