Structure of the antipsychotic drug 3-(2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl)-2,9-dimeth yl-4h-pyrido[1,2-a]pyrimidin-4-one (ocaperidone)

Jottier, W.I.; De Winter, H.L.; Peeters, O.M.; Blaton, N.M.; De Ranter, C.J.

doi:10.1107/S0108270192001677

Title

Structure of the antipsychotic drug 3-(2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl)-2,9-dimeth yl-4h-pyrido[1,2-a]pyrimidin-4-one (ocaperidone)

Author

Jottier, W.I.

De Winter, H.L.

Peeters, O.M.

Blaton, N.M.

De Ranter, C.J.

Abstract

C24H25FN4O2, M(r) = 420.5, monoclinic, P2(1)/n, a = 19.95 (1), b = 9.782 (5), c = 22.07 (1) angstrom, beta = 102.82 (3)-degrees, V = 4201 (3) angstrom3, Z = 8, D(m) = 1.32, D(x) = 1.329 Mg M-3 graphite-monochromated Mo Kalpha radiation, lambda = 0.71069 angstrom, mu = 0.087 mm-1, F(000) = 1776, T = 293 K, final R = 0.071 for 7404 unique observed reflections with \F0\ greater-than-or-equal-to 4sigma(\F0\). The asymmetric unit contains two independent molecules A and B. In both molecules the piperidine ring adopts a chair conformation. For molecule A, this ring exhibits site-occupation disorder with the two distinct positions of the piperidine ring almost perpendicular to each other. Molecules A and B are respectively linked by weak C-H ... N and C-H ... O hydrogen bonds.

Language

English

Source (journal)

Acta crystallographica: section C: crystal structure communications. - Copenhagen

Publication

Copenhagen : 1992

ISSN

0108-2701

DOI

10.1107/S0108270192001677

Volume/pages

48 :10 (1992) , p. 1827-1830