Ontology highlight
ABSTRACT:
SUBMITTER: de Oliveira AB
PROVIDER: S-EPMC3998428 | biostudies-literature | 2014 Mar
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20140215 Pt 3
There are two independent mol-ecules in the asymmetric unit of the title compound, C12H15N3S, both of which display disorder of several C atoms in the N-bound ring (occupancy ratios of 0.75:0.25 in the first independent mol-ecule and 0.50:0.50 in the second) with the methyl H atoms also being disordered in the first mol-ecule (occupancy ratio of 0.70:0.30). The planes of the benzene ring and the N-N-C-N fragment make dihedral angles of 12.92 (14)° in the first independent mol-ecule and 7.60 (13) ...[more]