Ontology highlight
ABSTRACT:
SUBMITTER: Kavitha HD
PROVIDER: S-EPMC3648237 | biostudies-literature | 2013 May
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20130413 Pt 5
The title mol-ecule, C12H12FN3O2S, shows a short intra-molecular S⋯O contact of 2.682 (18) Å. The dihedral angle between the thia-diazole ring and the benzene ring is 86.82 (11)°. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds generate an R 2 (1)(6) graph-set motif between adjacent mol-ecules. Pairs of futher C-H⋯O hydrogen bonds form inversion dimers with R 2 (2)(8) ring motifs. These combine to generate a three-dimensional network and stack the mol-ecules along the b axis. ...[more]