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

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

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 stackin...

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Bibliographic Details
Main Authors: Abdoulaye Djandé, Akoun Abou, Félix Kini, Konan René Kambo, Michel Giorgi
Format: Article
Language:English
Published: International Union of Crystallography 2018-07-01
Series:IUCrData
Subjects:
crystal structure
C—H...O hydrogen bond
coumarin
Hirshfeld surface analysis
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2414314618009276
Description
Summary: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.
ISSN:2414-3146

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