4-(4-Bromophenyl)-1-(2,6-difluorobenzyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2, 4-triazole-5(4H)-thione
| dc.contributor.author | Fun, H.-K. | |
| dc.contributor.author | Ooi, C.W. | |
| dc.contributor.author | Chandrakantha, B. | |
| dc.contributor.author | Isloor, A.M. | |
| dc.contributor.author | Shetty, P. | |
| dc.date.accessioned | 2026-02-05T09:35:33Z | |
| dc.date.issued | 2012 | |
| dc.description.abstract | In 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.citation | Acta Crystallographica Section E: Structure Reports Online, 2012, 68, 1, pp. o89- | |
| dc.identifier.issn | 16005368 | |
| dc.identifier.uri | https://doi.org/10.1107/s1600536811052330 | |
| dc.identifier.uri | https://idr.nitk.ac.in/handle/123456789/27109 | |
| dc.subject | Data-to-parameter ratio = 22.7 | |
| dc.subject | Mean ?(C-C) = 0.005 Å | |
| dc.subject | R factor = 0.048 | |
| dc.subject | Single-crystal X-ray study | |
| dc.subject | T = 296 K | |
| dc.subject | wR factor = 0.158 | |
| dc.title | 4-(4-Bromophenyl)-1-(2,6-difluorobenzyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2, 4-triazole-5(4H)-thione |
