TY - JOUR
T1 - 4-(4-Bromophenyl)-1-(2,6-difluorobenzyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2, 4-triazole-5(4H)-thione
AU - Fun, Hoong Kun
AU - Ooi, Chin Wei
AU - Chandrakantha, B.
AU - Isloor, Arun M.
AU - Shetty, Prakash
PY - 2012/1/1
Y1 - 2012/1/1
N2 - In the title compound, C 24H 20BrF 2N 3O 3S, 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-H··· O hydrogen bonds occur. The ring motif of the two hydrogen bonds to their symmetry-generated O-atom acceptors is R 2 2(8).
AB - In the title compound, C 24H 20BrF 2N 3O 3S, 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-H··· O hydrogen bonds occur. The ring motif of the two hydrogen bonds to their symmetry-generated O-atom acceptors is R 2 2(8).
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U2 - 10.1107/s1600536811052330
DO - 10.1107/s1600536811052330
M3 - Article
AN - SCOPUS:84855368239
SN - 1600-5368
VL - 68
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 1
ER -