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2-Oxo-2H-chromen-7-yl 4-methylbenzoate

Authors :
Abdoulaye Djandé
Michel Giorgi
Konan René Kambo
Akoun Abou
Félix B. Kini
Source :
IUCrData, Vol 3, Iss 7, p x180927 (2018)
Publication Year :
2018
Publisher :
International Union of Crystallography, 2018.

Abstract

In the title compound, C17H12O4, the benzoate ring is oriented at an acute angle of 60.14 (13)° relative to the coumarin plane (r.m.s. deviation = 0.006 Å). This conformation is stabilized by an intramolecular C—H...O weak hydrogen bond, which forms a five-membered ring. Also present are π–π stacking interactions between neighbouring pyrone and benzene rings [centroid-to-centroid distances in the range 3.6286 (1)–3.6459 (1) Å] and C=O...π interactions [O...centroid distances in the range 3.2938 (1)–3.6132 (1) Å]. Hirshfeld surface analysis has been used to confirm and quantify the supramolecular interactions.

Details

Language :
English
ISSN :
24143146
Volume :
3
Issue :
7
Database :
OpenAIRE
Journal :
IUCrData
Accession number :
edsair.doi.dedup.....dd87c963db93f0956651a07814acd9f8