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

Autor: Akoun Abou, Bintou Sessouma, Abdoulaye Djandé, Adama Saba, Rita Kakou-Yao
Jazyk: angličtina
Rok vydání: 2012
Předmět:
Zdroj: Acta Crystallographica Section E, Vol 68, Iss 2, Pp o537-o538 (2012)
Druh dokumentu: article
ISSN: 16005368
1600-5368
DOI: 10.1107/S160053681200298X
Popis: 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.
Databáze: Directory of Open Access Journals