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

In the title compound, C(24)H(20)BrF(2)N(3)O(3)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...

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Autores principales: Fun, Hoong-Kun, Ooi, Chin Wei, Chandrakantha, B., Isloor, Arun M., Shetty, Prakash
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254440/
https://www.ncbi.nlm.nih.gov/pubmed/22259587
http://dx.doi.org/10.1107/S1600536811052330
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author Fun, Hoong-Kun
Ooi, Chin Wei
Chandrakantha, B.
Isloor, Arun M.
Shetty, Prakash
author_facet Fun, Hoong-Kun
Ooi, Chin Wei
Chandrakantha, B.
Isloor, Arun M.
Shetty, Prakash
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(24)H(20)BrF(2)N(3)O(3)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) (2)(8).
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spelling pubmed-32544402012-01-18 4-(4-Bromo­phen­yl)-1-(2,6-difluoro­benz­yl)-3-(3,4,5-trimeth­oxy­phen­yl)-1H-1,2,4-triazole-5(4H)-thione Fun, Hoong-Kun Ooi, Chin Wei Chandrakantha, B. Isloor, Arun M. Shetty, Prakash Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(24)H(20)BrF(2)N(3)O(3)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) (2)(8). International Union of Crystallography 2011-12-10 /pmc/articles/PMC3254440/ /pubmed/22259587 http://dx.doi.org/10.1107/S1600536811052330 Text en © Fun et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Fun, Hoong-Kun
Ooi, Chin Wei
Chandrakantha, B.
Isloor, Arun M.
Shetty, Prakash
4-(4-Bromo­phen­yl)-1-(2,6-difluoro­benz­yl)-3-(3,4,5-trimeth­oxy­phen­yl)-1H-1,2,4-triazole-5(4H)-thione
title 4-(4-Bromo­phen­yl)-1-(2,6-difluoro­benz­yl)-3-(3,4,5-trimeth­oxy­phen­yl)-1H-1,2,4-triazole-5(4H)-thione
title_full 4-(4-Bromo­phen­yl)-1-(2,6-difluoro­benz­yl)-3-(3,4,5-trimeth­oxy­phen­yl)-1H-1,2,4-triazole-5(4H)-thione
title_fullStr 4-(4-Bromo­phen­yl)-1-(2,6-difluoro­benz­yl)-3-(3,4,5-trimeth­oxy­phen­yl)-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed 4-(4-Bromo­phen­yl)-1-(2,6-difluoro­benz­yl)-3-(3,4,5-trimeth­oxy­phen­yl)-1H-1,2,4-triazole-5(4H)-thione
title_short 4-(4-Bromo­phen­yl)-1-(2,6-difluoro­benz­yl)-3-(3,4,5-trimeth­oxy­phen­yl)-1H-1,2,4-triazole-5(4H)-thione
title_sort 4-(4-bromo­phen­yl)-1-(2,6-difluoro­benz­yl)-3-(3,4,5-trimeth­oxy­phen­yl)-1h-1,2,4-triazole-5(4h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254440/
https://www.ncbi.nlm.nih.gov/pubmed/22259587
http://dx.doi.org/10.1107/S1600536811052330
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