organic compounds
Open access
The title compound, C16H20N2O2S2, crystallizes with two enantiomers (A and B) in the asymmetric unit. The most noticeable difference between these two molecules is the relative orientation of the benzothiazole rings, with S-C-C-S torsion angles of -19.4 (2) (molecule A) and 100.6 (1)° (molecule B). The amide structure of the thiazolidinone rings leads to intermolecular hydrogen-bonded dimers of the R and S enantiomers.
organic compounds
Open access
The title compound, C12H9BrN2OS2, was obtained by reacting 6-bromobenzo[d]thiazole-2-carbonitrile in iso-propanol with ethyl 2-mercapto-2-methylpropanoate at reflux temperature for several hours. The resulting dimethyloxyluciferin derivative shows partial double-bond character of the carbon-carbon bond between the two heterocyclic moieties [C-C = 1.461 (3) Å]. This double bond restricts rotation around this C-C axis, therefore leading to an almost planar molecular structure [N-C-C-S torsion angle = 9.7 (3)°]. The five-membered thiazoline ring is not completely planar as a result of the bulky S atom [C-S-C-C torsion angle = 5.17 (12)°].