2018
DOI: 10.1107/s2056989018004188
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2-Oxo-2H-chromen-7-yl 4-tert-butylbenzoate

Abstract: The structure of a coumarin ester is reported and compared with the results of a quantum chemical calculation. In the crystal, inter­molecular C—H⋯O contacts generate an infinite C(6) chain along the b axis. C=O⋯π and π–π stacking inter­actions also occur. Hirshfeld surface analysis was used to confirm and qu­antify the supra­molecular inter­actions.

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Cited by 6 publications
(5 citation statements)
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“…Their geometrical parameters are compiled in Tables S2 and S3. All the bond lengths and angles are in concordance with those found in literature [36,[40][41][42].…”
Section: Interactions Established Between Aromatic Ring O-h•••o Hydrogen Bonds and C-h•••o-type Contactssupporting
confidence: 90%
“…Their geometrical parameters are compiled in Tables S2 and S3. All the bond lengths and angles are in concordance with those found in literature [36,[40][41][42].…”
Section: Interactions Established Between Aromatic Ring O-h•••o Hydrogen Bonds and C-h•••o-type Contactssupporting
confidence: 90%
“…Coumarin and its derivatives have been reported to serve as anti-bacterial (Basanagouda et al, 2009), anti-oxidant (Vuković et al, 2010) and anti-inflammatory agents (Emmanuel-Giota et al, 2001). In view of their importance and as a continuation of our work on the crystal structure analysis of coumarin derivatives (Abou et al, 2013;Oué draogo et al, 2018), we report herein the synthesis, crystal structure, geometry optimization and Hirshfeld surface analysis of the title coumarin derivative (I).…”
Section: Chemical Contextmentioning
confidence: 99%
“…These types of compounds are usually in the form of crystals. This is the case for carboxylates of 4-hydroxycoumarin [40][41][42] and 7-hydroxycoumarin [43][44][45][46]. In the case of 3-hydroxycoumarin, the crystalline structure has been established for compounds 30b, 30c, 30d, 30e, 30g, 30j, 30h [6][7][47][48][49][50][51].…”
Section: Synthesis Of 3-coumarinyl Carboxylatesmentioning
confidence: 99%