Ontology highlight
ABSTRACT:
SUBMITTER: Yuan CX
PROVIDER: S-EPMC4011212 | biostudies-other | 2014 May
REPOSITORIES: biostudies-other
Acta crystallographica. Section E, Structure reports online 20140418 Pt 5
The title compound, C11H11ClN4OS, crystallizes with two mol-ecules, A and B, in the asymmetric unit in which the dihedral angles between the triazole and benzene rings are 54.6 (3) and 56.0 (3)°. Both mol-ecules feature an intra-molecular O-H⋯N hydrogen bond, which generates an S(6) ring. In the crystal, A-B dimers are linked by pairs of weak C-H⋯S hydrogen bonds along with π-π stacking inter-actions between the triazole rings [centroid-centroid separations = 3.631 (3) and 3.981 (4)Å]. N-H⋯S hyd ...[more]