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3-(4-Hexyl-oxyphen-yl)-1,2,4-triazolo[3,4-b]benzo-thia-zole.

ABSTRACT: The title compound, C20H21N3OS, was prepared by Huisgen reaction of 5-(4-hexyl-oxyphen-yl)tetra-zole and chloro-benzo-thia-zole. The essentially planar benzo-thia-zolotriazole 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 hex-yloxy chain adopts a gauche-all-anti conformation. The intra-centroid separation of 3.7258?(8)?Å between the triazole and benzene rings is the closest contact between individual mol-ecules in the crystal.

SUBMITTER: Schollmeyer D

PROVIDER: S-EPMC3998472 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

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3-(4-Hexyl-oxyphen-yl)-1,2,4-triazolo[3,4-b]benzo-thia-zole.

Schollmeyer Dieter D Detert Heiner H

Acta crystallographica. Section E, Structure reports online 20140205 Pt 3

The title compound, C20H21N3OS, was prepared by Huisgen reaction of 5-(4-hexyl-oxyphen-yl)tetra-zole and chloro-benzo-thia-zole. The essentially planar benzo-thia-zolotriazole 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 hex-yloxy chain adopts a gauche-all-anti conformation. The intra-centroid separation of 3.7258 (8) Å between the triazole and benzene rings is the closest contact between i ...[more]

PMID: 24764967

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