Intramolecular interactions in ethyl bis-(2,4-dinitrophenyl)acetate


Ertas E., Ozturk T. , WALLIS J., WATSON W.

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, vol.28, no.5, pp.409-412, 1998 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 28 Issue: 5
  • Publication Date: 1998
  • Doi Number: 10.1023/a:1022472427510
  • Title of Journal : JOURNAL OF CHEMICAL CRYSTALLOGRAPHY
  • Page Numbers: pp.409-412

Abstract

The crystal structure of ethyl bis(2,4-dinitrophenyl)acetate, determined by room temperature X-ray diffraction, shows that this crowded molecule contains two short intramolecular interactions between nitro oxygen atoms and electron deficient carbon atoms. One mimics an early stage of the nucleophilic addition to a carbonyl group (O ... C, 2.730 Angstrom), 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)degrees, monoclinic, P2(1)/c, Z = 4.