3-(4-Hexyl­oxyphen­yl)-1,2,4-triazolo[3,4-b]benzo­thia­zole

The title compound, C(20)H(21)N(3)OS, was prepared by Huisgen reaction of 5-(4-hexyl­oxyphen­yl)tetra­zole and chloro­benzo­thia­zole. The essentially planar benzo­thia­zolotriazole framework [maximum deviation from the mean plane of 0.077 (1) Å for the bridgehead N atom] and the phenyl ring form a...

Descripción completa

Detalles Bibliográficos
Autores principales: Schollmeyer, Dieter, Detert, Heiner
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998472/
https://www.ncbi.nlm.nih.gov/pubmed/24764967
http://dx.doi.org/10.1107/S1600536814002153
_version_ 1782313369351487488
author Schollmeyer, Dieter
Detert, Heiner
author_facet Schollmeyer, Dieter
Detert, Heiner
author_sort Schollmeyer, Dieter
collection PubMed
description The title compound, C(20)H(21)N(3)OS, was prepared by Huisgen reaction of 5-(4-hexyl­oxyphen­yl)tetra­zole and chloro­benzo­thia­zole. The essentially planar benzo­thia­zolotriazole framework [maximum deviation from the mean plane of 0.077 (1) Å for the bridgehead N atom] and the phenyl ring form a dihedral angle of 53.34 (5)°. The hex­yloxy chain adopts a gauche–all-anti conformation. The intra­centroid separation of 3.7258 (8) Å between the triazole and benzene rings is the closest contact between individual mol­ecules in the crystal.
format Online
Article
Text
id pubmed-3998472
institution National Center for Biotechnology Information
language English
publishDate 2014
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-39984722014-04-24 3-(4-Hexyl­oxyphen­yl)-1,2,4-triazolo[3,4-b]benzo­thia­zole Schollmeyer, Dieter Detert, Heiner Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(20)H(21)N(3)OS, was prepared by Huisgen reaction of 5-(4-hexyl­oxyphen­yl)tetra­zole and chloro­benzo­thia­zole. The essentially planar benzo­thia­zolotriazole framework [maximum deviation from the mean plane of 0.077 (1) Å for the bridgehead N atom] and the phenyl ring form a dihedral angle of 53.34 (5)°. The hex­yloxy chain adopts a gauche–all-anti conformation. The intra­centroid separation of 3.7258 (8) Å between the triazole and benzene rings is the closest contact between individual mol­ecules in the crystal. International Union of Crystallography 2014-02-05 /pmc/articles/PMC3998472/ /pubmed/24764967 http://dx.doi.org/10.1107/S1600536814002153 Text en © Schollmeyer and Detert 2014 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
Schollmeyer, Dieter
Detert, Heiner
3-(4-Hexyl­oxyphen­yl)-1,2,4-triazolo[3,4-b]benzo­thia­zole
title 3-(4-Hexyl­oxyphen­yl)-1,2,4-triazolo[3,4-b]benzo­thia­zole
title_full 3-(4-Hexyl­oxyphen­yl)-1,2,4-triazolo[3,4-b]benzo­thia­zole
title_fullStr 3-(4-Hexyl­oxyphen­yl)-1,2,4-triazolo[3,4-b]benzo­thia­zole
title_full_unstemmed 3-(4-Hexyl­oxyphen­yl)-1,2,4-triazolo[3,4-b]benzo­thia­zole
title_short 3-(4-Hexyl­oxyphen­yl)-1,2,4-triazolo[3,4-b]benzo­thia­zole
title_sort 3-(4-hexyl­oxyphen­yl)-1,2,4-triazolo[3,4-b]benzo­thia­zole
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998472/
https://www.ncbi.nlm.nih.gov/pubmed/24764967
http://dx.doi.org/10.1107/S1600536814002153
work_keys_str_mv AT schollmeyerdieter 34hexyloxyphenyl124triazolo34bbenzothiazole
AT detertheiner 34hexyloxyphenyl124triazolo34bbenzothiazole

Ejemplares similares