7-Ethylamino-4-(trifluoromethyl)coumarin

Jasinski, Jerry P.; Jasinski, John M.; Yu, Li; Crosby, Daniel J.

doi:10.1107/s1600536803000709

Cited by 5 publications

(4 citation statements)

References 8 publications

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“…There also exist π-π stacking interactions between the coumarin moieties with an interplanar separation of 3.618 (3) Å (based on all atoms but the phenyl ring C atoms, symmetry operator for the second molecule iv). Similar structural features are also observed in other coumarin derivatives (Chinnakali et al, 1998;Jasinski et al, 2003).…”

Section: Data Collectionsupporting

confidence: 81%

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6-Benzyloxycoumarin

2010

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In the title compound, 6-benzyloxy-2H-1-benzopyran-2-one, C16H12O3, the coumarin unit and benzyl plane in the molecule are perpendicular to each other [86.92 (7)°]. The crystal packing is stabilized by π–π stacking interactions, with an interplanar separation between inversion-related coumarin units of 3.618 (3) Å. The crystal structure shows intermolecular C—H⋯O hydrogen bonding between neighboring molecules.

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Section: Data Collectionsupporting

confidence: 81%

“…For general background to coumarin, see: Adfa et al (2010); Gunnewegh et al (1995); Li et al (1998); Murray et al (1982); Schö nberg & Latif (1954). For related compounds, see: Chinnakali et al (1998); Jasinski et al (2003). Mo K radiation = 0.09 mm À1 T = 296 K 0.30 Â 0.10 Â 0.10 mm…”

Section: Related Literaturementioning

confidence: 99%

6-Benzyloxycoumarin

2010

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“…Our group has reported a number of related structures (Jasinski & Paight, 1994Jasinski & Woudenberg, 1994Jasinski & Li, 2002;Jasinski et al, 1998Jasinski et al, , 2003Butcher et al, 2007).…”

Section: Database Surveymentioning

confidence: 98%

Crystal structures of 4-methyl-2-oxo-2H-chromene-7,8-diyl diacetate and 4-methyl-2-oxo-2H-chromene-7,8-diyl bis(pent-4-ynoate)

et al. 2016

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“…For clarity, two molecules in the top layer are highlighted in red, while those two in the bottom layer are highlighted in green, in the top view. The crystal structure of 6 was determined at room temperature 38. There is a disorder site at the ethyl group, which is attached to a nitrogen atom (N1).…”

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confidence: 99%

Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B

et al. 2013

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The relationships between the structure and laser dye properties of four coumarin derivatives are investigated to assist in knowledge-based molecular design of coumarins for various optoelectronic applications. Four new crystal structures of coumarins 343, 314T, 445, and 522B are determined at 120 K and analyzed via the empirical harmonic–oscillator–stabilization–energy and bond-length–alternation models, based on resonance theory. Results from these analyses are used to rationalize the optoelectronic properties of these coumarins, such as their UV–vis peak absorption wavelength, molar extinction coefficient, and fluorescence quantum efficiency. The specific molecular structural features of these four coumarins and the effects on their optoelectronic properties are further examined via a comparison with other similar coumarin derivatives, including coumarins 314, 500, and 522. These findings are corroborated by density functional theory (DFT) and time-dependent DFT calculations. The structure–property correlations revealed herein provide a foundation for the molecular engineering of coumarins with “dial-up” optoelectronic properties to suit a given device application.

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7-Ethylamino-4-(trifluoromethyl)coumarin

Abstract: Key indicatorsSingle-crystal X-ray study T = 296 K Mean '(C±C) = 0.005 A Ê Disorder in main residue R factor = 0.062 wR factor = 0.168 Data-to-parameter ratio = 17.2 For details of how these key indicators were automatically derived from the article, see

Cited by 5 publications

References 8 publications

6-Benzyloxycoumarin

6-Benzyloxycoumarin

Crystal structures of 4-methyl-2-oxo-2H-chromene-7,8-diyl diacetate and 4-methyl-2-oxo-2H-chromene-7,8-diyl bis(pent-4-ynoate)

Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B

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