1-(4-Bromo­phen­yl)-2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)meth­yl]-4-phenyl-4H-1,2,4-triazol-3-ylsulfan­yl}ethanone

The title compound, C(22)H(20)BrN(5)OS, is a potent new fungicide. The planes of the phenyl and pyrozole rings are almost perpendicular, making a dihedral angle of 86.5 (4)°. There are two non-classical inter­molecular C—H⋯O and C—H⋯N hydrogen bonds in the crystal structure.

Detalles Bibliográficos
Autor principal: Xiao, Shan-Mei
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968199/
https://www.ncbi.nlm.nih.gov/pubmed/21581887
http://dx.doi.org/10.1107/S1600536809000403
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author Xiao, Shan-Mei
author_facet Xiao, Shan-Mei
author_sort Xiao, Shan-Mei
collection PubMed
description The title compound, C(22)H(20)BrN(5)OS, is a potent new fungicide. The planes of the phenyl and pyrozole rings are almost perpendicular, making a dihedral angle of 86.5 (4)°. There are two non-classical inter­molecular C—H⋯O and C—H⋯N hydrogen bonds in the crystal structure.
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spelling pubmed-29681992010-12-30 1-(4-Bromo­phen­yl)-2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)meth­yl]-4-phenyl-4H-1,2,4-triazol-3-ylsulfan­yl}ethanone Xiao, Shan-Mei Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(22)H(20)BrN(5)OS, is a potent new fungicide. The planes of the phenyl and pyrozole rings are almost perpendicular, making a dihedral angle of 86.5 (4)°. There are two non-classical inter­molecular C—H⋯O and C—H⋯N hydrogen bonds in the crystal structure. International Union of Crystallography 2009-01-10 /pmc/articles/PMC2968199/ /pubmed/21581887 http://dx.doi.org/10.1107/S1600536809000403 Text en © Shan-Mei Xiao 2009 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
Xiao, Shan-Mei
1-(4-Bromo­phen­yl)-2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)meth­yl]-4-phenyl-4H-1,2,4-triazol-3-ylsulfan­yl}ethanone
title 1-(4-Bromo­phen­yl)-2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)meth­yl]-4-phenyl-4H-1,2,4-triazol-3-ylsulfan­yl}ethanone
title_full 1-(4-Bromo­phen­yl)-2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)meth­yl]-4-phenyl-4H-1,2,4-triazol-3-ylsulfan­yl}ethanone
title_fullStr 1-(4-Bromo­phen­yl)-2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)meth­yl]-4-phenyl-4H-1,2,4-triazol-3-ylsulfan­yl}ethanone
title_full_unstemmed 1-(4-Bromo­phen­yl)-2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)meth­yl]-4-phenyl-4H-1,2,4-triazol-3-ylsulfan­yl}ethanone
title_short 1-(4-Bromo­phen­yl)-2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)meth­yl]-4-phenyl-4H-1,2,4-triazol-3-ylsulfan­yl}ethanone
title_sort 1-(4-bromo­phen­yl)-2-{5-[(3,5-dimethyl-1h-pyrazol-1-yl)meth­yl]-4-phenyl-4h-1,2,4-triazol-3-ylsulfan­yl}ethanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968199/
https://www.ncbi.nlm.nih.gov/pubmed/21581887
http://dx.doi.org/10.1107/S1600536809000403
work_keys_str_mv AT xiaoshanmei 14bromophenyl2535dimethyl1hpyrazol1ylmethyl4phenyl4h124triazol3ylsulfanylethanone

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