ChemInform Abstract: Ethyl 6,7-Bis(trifluoromethyl)isocoumarin-3-carboxylate: Formed by a Novel Diels-Alder Cycloaddition Involving Two Different α,β- Unsaturated Esters

Autor:	Anthony E. Tipping, R. G. Pritchard, A. B. Abubakar, N. N. E. Suliman
Rok vydání:	2010
Předmět:	chemistry.chemical_classification Isocoumarin chemistry.chemical_compound Trifluoromethyl Double bond chemistry Stereochemistry Molecule General Medicine Carboxylate Crystal structure Ring (chemistry) Cycloaddition
Zdroj:	ChemInform. 27
ISSN:	0931-7597
DOI:	10.1002/chin.199610063
Popis:	In common with other isocoumarin-based molecules, the planar fused ring system [maximum deviation 0.05(2)A] in the title molecule, ethyl 1-oxo-6,7-bis(trifluoromethyl)-1H-2-benzopyran-3-carboxylate, C 14 H 8 F 6 O 4 , contains a non-delocalized double bond [C=C 1.34(2)A]. Pairs of molecules form π-bonded dimers, centred on inversion points at y = 1/4 and 3/4 [closest interplanar C...C approach 3.59 (3) A] Consequently, the crystal structure is composed of alternating aromatic (y = 1/4 or 3/4) and aliphatic zones (y = 0 or 1/2).
Databáze:	OpenAIRE
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