Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2008 May 3;64(Pt 6):o954-5.
doi: 10.1107/S1600536808012257.

(E)-3-(4-Methyl-phen-yl)-1-(4-nitro-phenyl)prop-2-en-1-one

(E)-3-(4-Methyl-phen-yl)-1-(4-nitro-phenyl)prop-2-en-1-one

Hoong-Kun Fun et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The asymmetric unit of the title compound, C(16)H(13)NO(3), contains two independent mol-ecules related approximately by a pseudo-twofold rotation axis. The dihedral angle between the nitro-benzene and methyl-phenyl rings is 42.18 (6)° in one mol-ecule and 12.97 (6)° in the other. In both mol-ecules, the nitro group is slightly twisted away from the attached benzene ring. In the crystal structure, the mol-ecules are stacked along the b axis and are linked via C-H⋯O and C-H⋯π inter-actions.

PubMed Disclaimer

Figures

Fig. 1.
Fig. 1.
The asymmetric unit of the title compound, showing 50% probability displacement ellipsoids and the atomic numbering. Weak C—H···O intramolecular interactions are drawn as dashed lines.
Fig. 2.
Fig. 2.
The crystal packing of the title compound, viewed along the a axis showing stacking of anti-parallel pairs of molecules approximately along the b axis. Hydrogen bonds are drawn as dashed lines.

References

    1. Agrinskaya, N. V., Lukoshkin, V. A., Kudryavtsev, V. V., Nosova, G. I., Solovskaya, N. A. & Yakimanski, A. V. (1999). Phys. Solid State, 41, 1914–1917.
    1. Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1–S19.
    1. Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl.34, 1555–1573.
    1. Bruker (2005). APEX2, SAINT and SADABS Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Fun, H.-K., Patil, P. S., Dharmaprakash, S. M. & Chantrapromma, S. (2007). Acta Cryst. E63, o561–o562.