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1,4-Dibromo-2,5-bis(phenylalkoxy)benzene Derivatives: C-Br...π(arene) Versus C-H...Br and Br...Br Interactions in the Solid State

Manfroni, Giacomo and Prescimone, Alessandro and Constable, Edwin C. and Housecroft, Catherine E.. (2021) 1,4-Dibromo-2,5-bis(phenylalkoxy)benzene Derivatives: C-Br...π(arene) Versus C-H...Br and Br...Br Interactions in the Solid State. Crystals, 11 (4). p. 325.

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Abstract

We have prepared and characterized 1,4-dibromo-2,5-bis(2-phenylethoxy)benzene ( 1 ) and 1,4-dibromo-2,5-bis(3-phenylpropoxy)benzene ( 2 ). Their single-crystal structures confirm that, at the molecular level, they are similar with the phenylalkoxy chains in extended conformations. However, there are significant differences in packing interactions. The packing in 1 is dominated by C-Br...π(arene) interactions, with each Br located over one C-C bond of the central arene ring of an adjacent molecule. In contrast, the packing of molecules of 2 involves a combination of C-H...Br hydrogen bonds, Br...Br interactions, and arene-arene π-stacking. The single-crystal structures of both orthorhombic and triclinic polymorphs of 1 have been determined and the packing interactions are shown to be essentially identical.
Faculties and Departments:05 Faculty of Science > Departement Chemie > Chemie > Anorganische Chemie (Constable)
05 Faculty of Science > Departement Chemie > Chemie > Anorganische Chemie (Housecroft)
UniBasel Contributors:Housecroft, Catherine Elizabeth and Constable, Edwin Charles and Manfroni, Giacomo and Prescimone, Alessandro
Item Type:Article, refereed
Article Subtype:Research Article
Publisher:MDPI
ISSN:2073-4352
Note:Publication type according to Uni Basel Research Database: Journal article
Language:English
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Last Modified:06 Apr 2021 15:48
Deposited On:06 Apr 2021 15:48

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