Paliperidonium nitrate

• Main Authors: Jingshui Ge, Yang-Hui Luo
• Format: Article
• Language: English
• Published: International Union of Crystallography 2012-10-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S160053681203841X

In the title molecular salt (systematic name: 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidin-4-one nitrate), C23H29FN4O3+·NO3−, the piperidine ring displays a chair conformation and its N atom is protonated; the N—H bond is in an axial orientation. The ring bearing the hydroxy group exhibits a half-chair conformation. The hydroxy group as well as the adjacent methylene group are disordered over two sets of sites in a 0.823 (5):0.177 (5) ratio. In the crystal, O—H...N, O—H...O, N—H...O and N—H...N hydrogen bonds connect the components into a three-dimensional network.