Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 1 (January 2012)

organic compounds

hb6551 scheme

Acta Cryst. (2012). E68, o89 [ doi:10.1107/S1600536811052330 ]

4-(4-Bromophenyl)-1-(2,6-difluorobenzyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione

H.-K. Fun, C. W. Ooi, B. Chandrakantha, A. M. Isloor and P. Shetty

Abstract: In the title compound, C₂₄H₂₀BrF₂N₃O₃S, the triazole ring (r.m.s. deviation = 0.0107 Å) makes dihedral angles of 28.18 (14), 63.76 (14) and 77.01 (18)°, respectively, with the trimethoxy-, bromo-, and difluoro-substituted benzene rings. The C atoms of the meta methoxy groups are roughly coplanar with their ring [displacements = -0.289 (4) and 0.083 (7) Å], whereas the C atom of the para group is displaced [1.117 (3) Å]. In the crystal, inversion dimers linked by two pairs of C-HO hydrogen bonds occur. The ring motif of the two hydrogen bonds to their symmetry-generated O-atom acceptors is R₂²(8).


	Hyper-Text Markup Language (HTML) file (83.0 kbytes) [ doi:10.1107/S1600536811052330/hb6551sup0.html ] Supplementary materials

	Chemical Markup Language (CML) file (8.7 kbytes) [ doi:10.1107/S1600536811052330/hb6551Isup3.cml ] Supplementary material

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

Search: From to Advanced search