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 Apr 18;64(Pt 5):o867-8.
doi: 10.1107/S1600536808010362.

(2E)-3-(4-Chloro-phen-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one

(2E)-3-(4-Chloro-phen-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one

Mujahid Hussain Bukhari et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the mol-ecule of the title compound, C(13)H(10)ClNO, the benzene and pyrrole rings are oriented at a dihedral angle of 7.37 (12)°. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric R(2) (2)(10) dimers. There are C-H⋯π inter-actions between benzene and pyrrole rings and a benzene C-H group. A weak π-π inter-action between the pyrrole rings [centroid-centroid distance 3.8515 (11) Å] further stabilizes the structure. There is also a π inter-action between the pyrrole ring and the carbonyl group, with a carbon-centroid distance of 3.4825 (18) Å.

PubMed Disclaimer

Figures

Fig. 1.
Fig. 1.
The molecular structure of the title molecule, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
Fig. 2.
Fig. 2.
A partial packing diagram of (I), showing the formation of centro- symmetric R22(10) ring motifs. Hydrogen bonds are shown as dashed lines.

References

    1. Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl.34, 1555–1573.
    1. Bruker (2005). SADABS Bruker AXS Inc. Madison, Wisconsion, USA.
    1. Bruker (2007). APEX2 and SAINT Bruker AXS Inc. Madison, Wisconsion, USA.
    1. Farrugia, L. J. (1997). J. Appl. Cryst.30, 565.
    1. Farrugia, L. J. (1999). J. Appl. Cryst.32, 837–838.