3-(2-Fluoro­phen­yl)-6-(phenoxy­meth­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole

The crystal structure of the title compound, C(16)H(11)FN(4)OS, was synthesized in the course of our studies on 1,2,4-triazolo[3,4-b][1,3,4]thia­diazo­les as inhibitors of p38 mitogen-activated protein kinase (MAPK). The three-dimensional data obtained were used to generate a three-dimensional pharm...

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Detalles Bibliográficos
Autores principales: Holm, Melanie, Schollmeyer, Dieter, Laufer, Stefan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961052/
https://www.ncbi.nlm.nih.gov/pubmed/21202091
http://dx.doi.org/10.1107/S1600536808003917
Descripción
Sumario:The crystal structure of the title compound, C(16)H(11)FN(4)OS, was synthesized in the course of our studies on 1,2,4-triazolo[3,4-b][1,3,4]thia­diazo­les as inhibitors of p38 mitogen-activated protein kinase (MAPK). The three-dimensional data obtained were used to generate a three-dimensional pharmacophore model for in silico database screening. The dihedral angles between the central heterocylic system and the fluoro­phenyl and phenyl rings are 20.21 (3) and 5.43 (1)°, respectively; the dihedral angle between the two benzene rings is 15.80 (4)°.

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