REFINEMENT OF IBUPROFEN AT 100 K BY SINGLE-CRYSTAL PULSED-NEUTRON DIFFRACTION

Authors
SHANKLAND N WILSON CC FLORENCE AJ COX PJ
Citation
N. Shankland et al., REFINEMENT OF IBUPROFEN AT 100 K BY SINGLE-CRYSTAL PULSED-NEUTRON DIFFRACTION, Acta crystallographica. Section C, Crystal structure communications, 53, 1997, pp. 951-954
Citations number
12
Categorie Soggetti
Crystallography
Journal title
Acta crystallographica. Section C, Crystal structure communications → ACNP
ISSN journal
01082701
Volume
53
Year of publication
1997
Part
7
Pages
951 - 954
Database
ISI
SICI code
0108-2701(1997)53:<951:ROIA1K>2.0.ZU;2-X
Abstract
The structure of racemic ibuprofen [alpha-methyl-4-(2-methylpropyl)ben zeneacetic acid], C13H18O2, has been refined using single-crystal puls ed neutron diffraction data collected at 100 K. Accurate positional an d anisotropic displacement (vibration) parameters have been determined for all 33 atoms and the hydrogen-bond geometry of the dimeric crysta l-packing motif is well defined.