2-Oxo-2H-chromen-4-yl 4-tert-butylbenzoate

In the title molecule, C20H18O4, the three methyl groups of the tert-butyl substituent show rotational disorder. Each methyl group is split over three positions, with refined site-occupation factors of 0.711 (4), 0.146 (3) and 0.144 (4). The benzene ring of...

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Bibliographic Details
Main Authors: Akoun Abou, Bintou Sessouma, Abdoulaye Djandé, Adama Saba, Rita Kakou-Yao
Format: Article
Language:English
Published: International Union of Crystallography 2012-02-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S160053681200298X
Description
Summary:In the title molecule, C20H18O4, the three methyl groups of the tert-butyl substituent show rotational disorder. Each methyl group is split over three positions, with refined site-occupation factors of 0.711 (4), 0.146 (3) and 0.144 (4). The benzene ring of the benzoate group is oriented at a dihedral angle of 60.70 (7)° with respect to the planar chromene ring [maximum deviation = 0.046 (2) Å]. The crystal structure features centrosymmetric R22(8) dimers formed via C—H...O interactions, and these dimeric aggregates are connected by C—H...π interactions.
ISSN:1600-5368