Crystal Structure Of (3e)-3-(2,4-di-nitro-phen-oxy-meth-yl)-4-phenyl-but-3-en-2-one.


Autoria(s): Caracelli, Ignez; Maganhi, Stella H; Moran, Paulo J S; de Paula, Bruno R S; Delling, Felix N; Tiekink, Edward R T
Contribuinte(s)

UNIVERSIDADE DE ESTADUAL DE CAMPINAS

Data(s)

01/09/2014

27/11/2015

27/11/2015

Resumo

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 mol-ecules associate via C-H⋯O inter-actions, involving both O atoms from the 2-nitro group, to form a helical supra-molecular chain along [010]. Nitro-nitro N⋯O inter-actions [2.8461 (19) Å] connect the chains into layers that stack along [001].

70

o1051-2

Identificador

Acta Crystallographica. Section E, Structure Reports Online. v. 70, n. Pt 9, p. o1051-2, 2014-Sep.

1600-5368

10.1107/S1600536814018819

http://www.ncbi.nlm.nih.gov/pubmed/25309220

http://repositorio.unicamp.br/jspui/handle/REPOSIP/201803

25309220

Idioma(s)

eng

Relação

Acta Crystallographica. Section E, Structure Reports Online

Acta Crystallogr Sect E Struct Rep Online

Direitos

aberto

Fonte

PubMed

Palavras-Chave #N⋯o Inter­actions #Crystal Structure #Hydrogen Bonding
Tipo

Artigo de periódico