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. 2011 Dec 1;67(Pt 12):o3422-3.
doi: 10.1107/S1600536811048653. Epub 2011 Nov 25.

4-(3-Chloro-phen-yl)-3-[(2,6-difluoro-benz-yl)sulfan-yl]-5-(3,4,5-trimeth-oxy-phen-yl)-4H-1,2,4-triazole

4-(3-Chloro-phen-yl)-3-[(2,6-difluoro-benz-yl)sulfan-yl]-5-(3,4,5-trimeth-oxy-phen-yl)-4H-1,2,4-triazole

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

Abstract

In the title compound, C(24)H(20)ClF(2)N(3)O(3)S, the essentially planar triazole ring (r.m.s. deviation = 0.001 Å) forms dihedral angles of 22.35 (10), 68.17 (10) and 42.01 (10)° with the mean planes of the trimeth-oxy-phenyl, chloro-phenyl and difluoro-phenyl rings, respectively. A weak intra-molecular C-H⋯π inter-action occurs. In the crystal, mol-ecules are linked into sheets lying parallel to the bc plane by C-H⋯O and C-H⋯N hydrogen bonds. The crystal packing also features weak C-H⋯π inter-actions.

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Figures

Fig. 1.
Fig. 1.
The structure of the title compound, showing 50% probability displacement ellipsoids. Hydrogen atoms are shown as spheres of arbitrary radius.
Fig. 2.
Fig. 2.
The crystal packing, viewed along the a-axis, showing two-dimensional planes parallel to bc plane. Hydrogen atoms that not involved in hydrogen bonding (dashed lines) are omitted for clarity.

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References

    1. Bruker (2009). APEX2, SAINT and SADABS Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Chandrakantha, B., Shetty, P., Nambiyar, V., Isloor, N. & Isloor, A. M. (2010). Eur. J. Med. Chem. 45, 1206–1210. - PubMed
    1. Chen, C. J., Song, B. A., Yang, S., Xu, G. F., Bhadury, P. S., Jin, L. H., Hu, D. Y., Li, Q. Z., Liu, F., Xue, W., Lu, P. & Chen, Z. (2007). Bioorg. Med. Chem. 15, 3981–3989. - PubMed
    1. Cosier, J. & Glazer, A. M. (1986). J. Appl. Cryst. 19, 105–107.
    1. Isloor, A. M., Kalluraya, B. & Pai, K. S. (2010). Eur. J. Med. Chem. 45, 825–830. - PubMed