Paliperidonium nitrate.

ABSTRACT: In the title mol-ecular salt (systematic name: 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]eth-yl}-9-hy-droxy-2-methyl-1,6,7,8,9,9a-hexa-hydro-pyrido[1,2-a]pyrimidin-4-one nitrate), C(23)H(29)FN(4)O(3) (+)·NO(3) (-), 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 hy-droxy group exhibits a half-chair conformation. The hy-droxy group as well as the adjacent methyl-ene 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.

SUBMITTER: Ge J 

PROVIDER: S-EPMC3470306 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature