Paliperidone: 3-{2-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydrox y-2-methyl-1,6,7,8,9,9a-hexahydropyrido1,2-a]pyrimidin-4-one

Betz, Richard and Gerber, Thomas and Hosten, E. and Dayananda, A. and Yathirajan, H. S. and Thomas, S. (2011) Paliperidone: 3-{2-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydrox y-2-methyl-1,6,7,8,9,9a-hexahydropyrido1,2-a]pyrimidin-4-one. Acta Crystallographica Section E-Structure Reports Online, 67 (11). O2945-U591. ISSN 1600-5368

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Abstract

The title compound (also known as 9-hydroxyrisperidone), C23H27FN4O3, is a heterocyclic compound with manifold pharmacological properties. The hydroxy group shows disorder over two positions, with site-occupancy factors of 0.856 (2) and 0.144 (2). The piperidine ring adopts a chair conformation, while the annulated ring bearing the hydroxy group is present in a half-chair conformation. Classical O-H center dot center dot center dot O hydrogen bonds as well as C-H center dot center dot center dot N contacts connect the molecules into undulating sheets lying perpendicular to the crystallographic b axis. The shortest centroid-centroid distance between two centers of gravity is 3.5867 (8) angstrom and is apparent between the benzoxazole moiety and the six-membered ring bearing the keto substituent.

Item Type:	Article
Subjects:	C Chemical Science > Chemistry
Divisions:	Department of > Chemistry
Depositing User:	Users 23 not found.
Date Deposited:	17 Aug 2019 08:40
Last Modified:	25 Jul 2022 07:02
URI:	http://eprints.uni-mysore.ac.in/id/eprint/2360

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