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2-Oxo-2H-chromen-7-yl 4-methylbenzoate
- 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 :
- Directory of Open Access Journals
- Journal :
- IUCrData
- Publication Type :
- Academic Journal
- Accession number :
- edsdoj.86185900ff4243c5be9d798c66a612a5
- Document Type :
- article
- Full Text :
- https://doi.org/10.1107/S2414314618009276