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


Autoria(s): Zukerman-Schpector, Julio; Maganhi, Stella H; Moran, Paulo J S; de Paula, Bruno R S; Nucci, Paulo R; 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, C17H15NO4, the conformation about the C=C double bond [1.348 (2) Å] is E with the ketone group almost co-planar [C-C-C-C torsion angle = 7.2 (2)°] but the phenyl group twisted away [C-C-C-C = 160.93 (17)°]. The terminal aromatic rings are almost perpendicular to each other [dihedral angle = 81.61 (9)°] giving the mol-ecule an overall U-shape. The crystal packing feature benzene-C-H⋯O(ketone) contacts that lead to supra-molecular helical chains along the b axis. These are connected by π-π inter-actions between benzene and phenyl rings [inter-centroid distance = 3.6648 (14) Å], resulting in the formation of a supra-molecular layer in the bc plane.

70

o1020-1

Identificador

Acta Crystallographica. Section E, Structure Reports Online. v. 70, n. Pt 9, p. o1020-1, 2014-Sep.

1600-5368

10.1107/S1600536814018327

http://www.ncbi.nlm.nih.gov/pubmed/25309202

http://repositorio.unicamp.br/jspui/handle/REPOSIP/201802

25309202

Idioma(s)

eng

Relação

Acta Crystallographica. Section E, Structure Reports Online

Acta Crystallogr Sect E Struct Rep Online

Direitos

aberto

Fonte

PubMed

Palavras-Chave #Crystal Structure #Hydrogen Bonding #π–π Inter­actions
Tipo

Artigo de periódico