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. 2013 Apr 13;69(Pt 5):o701-2.
doi: 10.1107/S1600536813009367. Print 2013 May 1.

N-[4-Acetyl-5-(4-fluoro-phen-yl)-4,5-di-hydro-1,3,4-thia-diazol-2-yl]acetamide

H D Kavitha  1 , Sheetal B Marganakop, Ravindra R Kamble, K R Roopashree, H C Devarajegowda
Affiliations

N-[4-Acetyl-5-(4-fluoro-phen-yl)-4,5-di-hydro-1,3,4-thia-diazol-2-yl]acetamide

H D Kavitha et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The title mol-ecule, C12H12FN3O2S, shows a short intra-molecular S⋯O contact of 2.682 (18) Å. The dihedral angle between the thia-diazole ring and the benzene ring is 86.82 (11)°. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds generate an R 2 (1)(6) graph-set motif between adjacent mol-ecules. Pairs of futher C-H⋯O hydrogen bonds form inversion dimers with R 2 (2)(8) ring motifs. These combine to generate a three-dimensional network and stack the mol-ecules along the b axis.

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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. Hydrogen atoms are shown as spheres of arbitrary radius.
Fig. 2.
Fig. 2.
Packing of the molecule in the unit cell.
See this image and copyright information in PMC

References

    1. Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555–1573.
    1. Bruker (2001). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849–854.
    1. Kadi, A. A., El-Brollosy, N. R., Al-Deeb, O. A., Habib, E. E., Ibrahim, T. M. & El-Emam, A. A. (2007). Eur. J. Med. Chem. 42, 235–242. - PubMed
    1. Kumar, D. N., Kumar, M., Noel, B. & Shah, K. (2012). Eur. J. Med. Chem. 55, 432–438. - PubMed