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
. 2011 Sep 1;67(Pt 9):o2310.
doi: 10.1107/S1600536811030935. Epub 2011 Aug 11.

3-(4-Chloro-phen-yl)quinazolin-4(3H)-one

3-(4-Chloro-phen-yl)quinazolin-4(3H)-one

M Gnana Ruba Priya et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C(14)H(9)ClN(2)O, the quinazoline unit is essentially planar, with a mean deviation from the least-squares plane defined by the ten constituent ring atoms of 0.027 (2) Å. The dihedral angle between the mean plane of the quinazoline ring system and the 4-chloro-phenyl ring is 44.63 (5)°. In the crystal, mol-ecules are linked by inter-molecular C-H⋯N and C-H⋯O hydrogen bonds, forming infinite chains of alternating R(2) (2)(6) dimers and R(2) (2)(14) ring motifs.

PubMed Disclaimer

Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound, showing displacement ellipsoids drawn at the 30% probability level. H atoms are presented as a small spheres of arbitrary radius.
Fig. 2.
Fig. 2.
A view of the C—H···N and C—H···O hydrogen bonds (dotted lines) in the crystal structure of the title compound. [Symmetry codes: (i) - x + 1, - y + 2, - z + 1; (ii) - x - 3/2, y + 1/2, - z + 1/2; (iii) - x + 3/2, y - 1/2, - z + 1/2.]

References

    1. Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. 34, 1555–1573.
    1. Bruker (2008). APEX2, SAINT and SADABS Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
    1. Li, M.-J. & Feng, C.-J. (2009). Acta Cryst. E65, o2145. - PMC - PubMed
    1. Li, D.-L., Wu, Y., Wang, Q., He, G. & Yu, L.-T. (2010). Acta Cryst. E66, o447. - PMC - PubMed