Publication
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
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
Volume/pages
48:10(1992), p. 1827-1830
ISI
A1992JW26100031
Full text (Publishers DOI)
Full text (publishers version - intranet only)
UAntwerpen
Faculty/Department
Publication type
Subject
External links
Web of Science
Record
Identification
Creation 11.12.2013
Last edited 20.04.2017