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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.
- Subjects :
- crystal structure
Hydrogen bond
Stacking
General Medicine
Crystal structure
Methyl benzoate
010402 general chemistry
010403 inorganic & nuclear chemistry
Ring (chemistry)
Coumarin
01 natural sciences
coumarin
Pyrone
0104 chemical sciences
chemistry.chemical_compound
Crystallography
chemistry
lcsh:QD901-999
Hirshfeld surface analysis
C—H...O hydrogen bond
lcsh:Crystallography
Benzene
Subjects
Details
- Language :
- English
- ISSN :
- 24143146
- Volume :
- 3
- Issue :
- 7
- Database :
- OpenAIRE
- Journal :
- IUCrData
- Accession number :
- edsair.doi.dedup.....dd87c963db93f0956651a07814acd9f8