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. 2014 Mar 29;70(Pt 4):o499.
doi: 10.1107/S1600536814006412. eCollection 2014 Apr 1.

1-(4-Chloro-phen-yl)-1H-1,2,4-triazol-5(4H)-one

Pramod P Kattimani  1 , Ravindra R Kamble  1 , Mahadev N Kumbar  1 , H K Arunkashi  2 , H C Devarajegowda  3
Affiliations

1-(4-Chloro-phen-yl)-1H-1,2,4-triazol-5(4H)-one

Pramod P Kattimani et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C8H6ClN3O, the dihedral angle between the 1,2,4-triazole and benzene rings is 4.60 (9)° and an intra-molecular C-H⋯O inter-action closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R 2 (2)(8) loops and C-H⋯O inter-actions link the dimers into [100] chains. Weak π-π stacking inter-actions [centroid-centroid distance = 3.644 (1) Å] are also observed.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level.
Fig. 2.
Fig. 2.
The packing of the title compound.
See this image and copyright information in PMC

References

    1. Bruker (2001). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Devarajegowda, H. C., Jeyaseelan, S., Sathishkumar, R., D’souza, A. S. & D’souza, A. (2012). Acta Cryst. E68, o1607. - PMC - PubMed
    1. Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849–854.
    1. Sheldrick, G. M. (2007). SADABS Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. - PubMed