Ontology highlight
ABSTRACT:
SUBMITTER: Yuan CX
PROVIDER: S-EPMC4158482 | biostudies-literature | 2014 Aug
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20140726 Pt 8
The title compound, C11H11BrN4OS, crystallized as a racemic twin with two symmetry-independent mol-ecules in the asymmetric unit. The dihedral angles between the benzene and triazole rings of the two independent mol-ecules are 56.41 (18) and 54.48 (18)°. An intra-molecular O-H⋯N hydrogen bond occurs in each mol-ecule. In the crystal, pairs of symmetry-independent mol-ecules are linked by pairs of almost linear N-H⋯S hydrogen bonds, forming cyclic dimers characterized by an R 2 (2)(8) motif. Ther ...[more]