8-Chloro-5-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,5]benzoxazepine

[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.

Disciplines :

Physics

Author, co-author :

Dupont, Léon ; Cristallographie

Liégeois, Jean-François ; Université de Liège - ULiège > Département de pharmacie > Chimie pharmaceutique

Language :

English

Title :

8-Chloro-5-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,5]benzoxazepine

Publication date :

December 2003

Journal title :

Acta Crystallographica. Section E, Structure Reports Online

ISSN :

1600-5368

Publisher :

Blackwell Munksgaard, Copenhagen, Denmark

Volume :

Issue :

Part 12

Pages :

O1962-O1963

Peer reviewed :

Peer Reviewed verified by ORBi

Available on ORBi :

since 09 January 2009

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Bibliography

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.
Stoe & Cie (1987). DIF4, REDU4 and EMPIR. Versions 6.2. Stoe & Cie, Darmstadt, Germany.
Watkin, D. J., Pearce, L. J. & Prout, C. K. (1996). CAMERON. Chemical Crystallography Laboratory, University of Oxford, England.

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