Ontology highlight
ABSTRACT:
SUBMITTER: Abdel-Wahab BF
PROVIDER: S-EPMC3379505 | biostudies-literature | 2012 Jun
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20120531 Pt 6
In the title compound, C(20)H(19)FN(6)S, the pyrazole ring has an envelope conformation, with the methine C atom being the flap atom. The dihedral angle between the least-squares plane through the pyrazole and triazole rings is 7.59 (9)°, and the triazole and attached benzene ring form a dihedral angle of 74.79 (9)°. The thio-urea group is coplanar with the pyrazole ring [N-N-C-S torsion angle = -179.93 (11)°], which enables the formation of an intra-molecular N-H⋯N hydrogen bond. In the crystal ...[more]