2-(3-Hydroxy-propyl)isoindoline-1,3-dione:Competition among hydrogen-bond acceptors


The title compound, C11H11NO3, has two mol-ecules in the asymmetric unit, which differ in the orientation of their side-chain OH groups, allowing them to form inter-molecular O - H⋯O hydrogen bonds to different acceptors. In one case, the acceptor is the OH group of the other mol-ecule, and in the other case it is an imide O=C group. This is the first example in the N-substituted phthalimide series in which independent mol-ecules have different types of acceptor. Mol-ecular-orbital calculations place the greatest negative charge on the OH group. © 2008 International Union of Crystallography.

Publication DOI: https://doi.org/10.1107/S0108270108016363
Divisions: College of Health & Life Sciences > Aston Pharmacy School
Additional Information: © 2008 International Union of Crystallography. Acta Cryst. (2008). C64, o402-o404 https://doi.org/10.1107/S0108270108016363
Uncontrolled Keywords: Condensed Matter Physics,Structural Biology,Medicine(all)
Publication ISSN: 1600-5759
Full Text Link:
Related URLs: http://www.scop ... tnerID=8YFLogxK (Scopus URL)
PURE Output Type: Article
Published Date: 2008-07
Authors: Wang, H.
Bache, C.J.
Schwalbe, C.H.



Version: Published Version

| Preview

Export / Share Citation


Additional statistics for this record