Artículos de revistas
Crystal Structure Of (3e)-3-(2,4-dinitrophenoxymethyl)-4-phenylbut-3-en-2-one
Registro en:
Acta Crystallographica Section E: Structure Reports Online. International Union Of Crystallography, v. 70, n. 9, p. o1051 - o1052, 2014.
16005368
10.1107/S1600536814018819
2-s2.0-84907014906
Autor
Caracelli I.
Maganhi S.H.
Moran P.J.S.
Paula B.R.S.D.
Delling F.N.
Tiekink E.R.T.
Institución
Resumen
In the title compound, C17H14N2O6, the conformation about the C=C double bond [1.345(2)Å] is E, with the ketone moiety almost coplanar [C-C-C-C torsion angle = 9.5(2)°] along with the phenyl ring [C-C-C-C = 5.9(2)°]. The aromatic rings are almost perpendicular to each other [dihedral angle = 86.66(7)°]. The 4-nitro moiety is approximately coplanar with the benzene ring to which it is attached [O-N-C-C = 4.2(2)°], whereas the one in the ortho position is twisted [O-N-C-C = 138.28(13)°]. The molecules associate via C-H⋯O interactions, involving both O atoms from the 2-nitro group, to form a helical supramolecular chain along [010]. Nitro-nitro N⋯O interactions [2.8461(19)Å] connect the chains into layers that stack along [001]. 70 9 o1051 o1052 Altomare, A., Burla, M.C., Camalli, M., Cascarano, G.L., Giacovazzo, C., Guagliardi, A., Moliterni, A.G.G., Spagna, R., (1999) J. Appl. Cryst, 32, pp. 115-119 Brandenburg, K., (2006) DIAMOND, , Crystal Impact GbR, Bonn, Germany (2009) APEX2 and SAINT, , Bruker Bruker AXS Inc., Madison, Wisconsin, USA (2010) ChemAxon, , http://www.chemaxon.com, Marvinsketch Daszkiewicz, M., (2013) CrystEngComm, 15, pp. 10427-10430 Farrugia, L.J., (2012) J. Appl. Cryst, 45, pp. 849-854 Gans, J., Shalloway, D., (2001) J. Mol. Graph. Mode, 119, pp. 557-559 De Paula, B.R.S., Zampieri, D.S., Rodrigues, J.A.R., Moran, P.J.S., (2013) Tetrahedron Asymmetry, 24, pp. 973-981 Rodrigues, J.A.R., Moran, P.J.S., Conceicaõ, G.J.A., Fardelone, L.C., (2004) Food Technol. Biotechno, 142, pp. 295-303 Sheldrick, G.M., (1996) SADABS, , University of Göttingen, Germany Sheldrick, G.M., (2008) Acta Cryst A, 64, pp. 112-122 Westrip, S.P., (2010) J. Appl. Cryst, 43, pp. 920-925 Zukerman-Schpector, J., Maganhi, S.H., Moran, P.J.S., De Paula, B.R.S., Nucci, P.R., Tiekink, E.R.T., (2014) Acta Cryst. e, 70, pp. o1020-o1021