2-(3-Hydroxypropyl)isoindoline-1,3-dione: competition among hydrogen-bond acceptors

2-(3-Hydroxypropyl)isoindoline-1,3-dione: competition among hydrogen-bond acceptors

The title compound, C11H11NO3, has two molecules in the asymmetric unit, which differ in the orientation of their side‐chain OH groups, allowing them to form intermolecular O—H...O hydrogen bonds to different acceptors. In one case, the acceptor is the OH group of the other molecule, and in the othe...

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Veröffentlicht in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2008-07, Vol.64 (7), p.o402-o404
Hauptverfasser: Wang, Honghao, Bache, Chris J., Schwalbe, Carl H.
Format: Artikel
Sprache:eng
Schlagworte:
Chemical compounds
Crystal structure
Crystallography
Hydrogen Bonding
Hydrogen bonds
Isoindoles - chemistry
Molecular Structure
Molecules
Phthalimides - chemistry
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Beschreibung
Zusammenfassung:The title compound, C11H11NO3, has two molecules in the asymmetric unit, which differ in the orientation of their side‐chain OH groups, allowing them to form intermolecular O—H...O hydrogen bonds to different acceptors. In one case, the acceptor is the OH group of the other molecule, 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 molecules have different types of acceptor. Molecular‐orbital calculations place the greatest negative charge on the OH group.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270108016363