2-(6-Bromo-benzo[d]thia-zol-2-yl)-5,5-di-methyl-thia-zol-4(5H)-one.
The title compound, C12H9BrN2OS2, was obtained by reacting 6-bromo-benzo[d]thia-zole-2-carbo-nitrile in iso-propanol with ethyl 2-mercapto-2-methyl-propano-ate at reflux temperature for several hours. The resulting di-methyl-oxyluciferin 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 mol-ecular 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)°].
Institut für Organische Chemie und Makromolekulare Chemie, Universität Jena, Humboldtstr. 10, 07743 Jena, Germany.
Hendryk
H
Würfel
Institut für Anorganische und Analytische Chemie, Friedrich-Schiller-Universität, Jena, Humboldt-Str. 8, 07743 Jena, Germany.
Helmar
H
Görls
Institut für Organische Chemie und Makromolekulare Chemie, Universität Jena, Humboldtstr. 10, 07743 Jena, Germany.
Dieter
D
Weiss
Institut für Organische Chemie und Makromolekulare Chemie, Universität Jena, Humboldtstr. 10, 07743 Jena, Germany.
Rainer
R
Beckert