Crystal structure of (3E)-3-[(4-nitrophenoxy)methyl]-4-phenylbut-3-en-2-one

Zukerman-Schpector, Julio and Maganhi, Stella H. and Moran, Paulo J.S. and Paula, Bruno R.S. de and Nucci, Paulo R. and Tiekink, Edward R.T. (2014) Crystal structure of (3E)-3-[(4-nitrophenoxy)methyl]-4-phenylbut-3-en-2-one. Acta Crystallographica Section E: Structure Reports Online, 70 (9). o1020-o1021. ISSN 1600-5368, DOI

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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 molecule an overall U-shape. The crystal packing feature benzene-C-H⋯O(ketone) contacts that lead to supramolecular helical chains along the b axis. These are connected by π-π interactions between benzene and phenyl rings [inter-centroid distance = 3.6648(14)Å], resulting in the formation of a supramolecular layer in the bc plane.

Item Type: Article
Uncontrolled Keywords: crystal structure; hydrogen bonding; π-π interactions
Subjects: Q Science > Q Science (General)
Q Science > QD Chemistry
Divisions: Faculty of Science > Department of Chemistry
Depositing User: Ms. Juhaida Abd Rahim
Date Deposited: 19 Nov 2019 06:56
Last Modified: 19 Nov 2019 06:56

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