Crystal Structure Of (3e)-3-[(4-nitro-phen-oxy)-meth-yl]-4-phenyl-but-3-en-2-one.
Contribuinte(s) |
UNIVERSIDADE DE ESTADUAL DE CAMPINAS |
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Data(s) |
01/09/2014
27/11/2015
27/11/2015
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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 |