Download citation
Download citation

link to html
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.

Download citation
Download citation

link to html
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)°].
Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds