[en] The crystal structure of the title compound, C17H17ClN4O, has been undertaken as part of our studies of dopamine receptors. The oxazepine ring has a boat conformation, while the piperazine ring is in a normal chair conformation. The dihedral angle between the two aromatic rings that lie on the same side of the oxazepine moiety is 113.99 (7)degrees. There is no hydrogen bonding.
Burnett, M. N. & Johnson, C. K. (1996). ORTEPIII. Report ORNL-6895. Oak Ridge National Laboratory, Tennessee, USA.
Dupont, L., Liégeois, J.-F., Rogister, F. & Delarge, J. (1996). Acta Cryst. C52, 391-393.
Ellenbroek, B. A. & Liégeois, J.-F. (2003). CNS Drugs Rev. 9, 41-57.
Liégeois, J.-F. (1992). PhD thesis, University of Liège, Belgium.
Liégeois, J.-F., Bruhwyler, J., Damas, J., Nguyen, T. P., Chleide, E., Mercier, M., Rogister, F. & Delarge, J. (1993). J. Med. Chem. 36, 2107-2114.
Liégeois, J.-F., Rogister, F., Bruhwyler, J., Damas, J., Nguyen, T. P., Inarejos, M. O., Chleide, E., Mercier, M. & Delarge, J. (1994). J. Med. Chem. 37, 519-525.
Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of Göttingen, Germany.
