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

dc.contributor.authorFun, H.-K.
dc.contributor.authorOoi, C.W.
dc.contributor.authorChandrakantha, B.
dc.contributor.authorIsloor, A.M.
dc.contributor.authorShetty, P.
dc.date.accessioned2026-02-05T09:35:33Z
dc.date.issued2012
dc.description.abstractIn the title compound, C <inf>24</inf>H <inf>20</inf>BrF <inf>2</inf>N <inf>3</inf>O <inf>3</inf>S, 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 <inf>2</inf>(8).
dc.identifier.citationActa Crystallographica Section E: Structure Reports Online, 2012, 68, 1, pp. o89-
dc.identifier.issn16005368
dc.identifier.urihttps://doi.org/10.1107/s1600536811052330
dc.identifier.urihttps://idr.nitk.ac.in/handle/123456789/27109
dc.subjectData-to-parameter ratio = 22.7
dc.subjectMean ?(C-C) = 0.005 Å
dc.subjectR factor = 0.048
dc.subjectSingle-crystal X-ray study
dc.subjectT = 296 K
dc.subjectwR factor = 0.158
dc.title4-(4-Bromophenyl)-1-(2,6-difluorobenzyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2, 4-triazole-5(4H)-thione

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