INTRAMOLECULAR INTERACTIONS IN ETHYL BIS-(2,4-DINITROPHENYL)ACETATE

Citation
E. Ertas et al., INTRAMOLECULAR INTERACTIONS IN ETHYL BIS-(2,4-DINITROPHENYL)ACETATE, Journal of chemical crystallography, 28(5), 1998, pp. 409-412
Citations number
13
Categorie Soggetti
Crystallography,Spectroscopy
ISSN journal
10741542
Volume
28
Issue
5
Year of publication
1998
Pages
409 - 412
Database
ISI
SICI code
1074-1542(1998)28:5<409:IIIEB>2.0.ZU;2-3
Abstract
The crystal structure of ethyl bis(2,4-dinitrophenyl)acetate, determin ed by room temperature X-ray diffraction, shows that this crowded mole cule contains two short intramolecular interactions between nitro oxyg en atoms and electron deficient carbon atoms. One mimics an early stag e of the nucleophilic addition to a carbonyl group (O ... C, 2.730 Ang strom), and the other mimics an early stage of a Michael reaction (O . .. C, 2.854 Angstrom). Crystal data: C16H12N4O10, M-r = 420.29, a = 10 .079(1), b = 11.139(1), c = 16.162(1) Angstrom, beta = 91.319(7)degree s, monoclinic, P2(1)/c, Z = 4.