Crystal structures of 3,4,5-triphenyltoluene and 3,4,5-triphenylbenzyl bromide

This article describes the crystal structures of 3,4,5-triphenyltoluene, C25H20 (1), and 3,4,5-triphenylbenzyl bromide, C25H19Br (2), which represent two intermediates of a multistep synthesis of a phenylacetic acid derivative. Compound 1 crystallizes from methanol in two polymorphic forms, with the...

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Bibliographic Details
Main Authors: Pierre Seidel, Eric Meier, Monika Mazik
Format: Article
Language:English
Published: International Union of Crystallography 2025-08-01
Series:Acta Crystallographica Section E: Crystallographic Communications
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Online Access:https://journals.iucr.org/paper?S2056989025006462
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Summary:This article describes the crystal structures of 3,4,5-triphenyltoluene, C25H20 (1), and 3,4,5-triphenylbenzyl bromide, C25H19Br (2), which represent two intermediates of a multistep synthesis of a phenylacetic acid derivative. Compound 1 crystallizes from methanol in two polymorphic forms, with the space groups P2/n (1a) and P21/c (1b). In both cases, van der Waals forces significantly contribute to the cohesion of the crystal structure and the two polymorphs are characterized by similar modes of molecular interconnection. Compound 2 crystallizes from n-hexane in the space group P1, showing a similar pattern of noncovalent interactions to 1a and 1b. In all reported structures, the aromatic framework of the molecules adopts a paddlewheel-like conformation.
ISSN:2056-9890