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

H. Wang; C.J. Bache; C.H. Schwalbe

doi:10.1107/S0108270108016363

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

H. Wang
, C.J. Bache
, C.H. Schwalbe

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Abstract

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.

Original language	English
Pages (from-to)	o402-o404
Number of pages	3
Journal	Acta Crystallographica Section C: Crystal Structure Communications
Volume	64
Issue number	7
DOIs	https://doi.org/10.1107/S0108270108016363
Publication status	Published - Jul 2008

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© 2008 International Union of Crystallography. Acta Cryst. (2008). C64, o402-o404
https://doi.org/10.1107/S0108270108016363

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10.1107/S0108270108016363

2-(3-Hydroxypropyl)isoindoline-1,3- dione
© 2008 International Union of Crystallography. Acta Cryst. (2008). C64, o402-o404 https://doi.org/10.1107/S0108270108016363
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title = "2-(3-Hydroxy-propyl)isoindoline-1,3-dione: Competition among hydrogen-bond acceptors",

abstract = "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. {\textcopyright} 2008 International Union of Crystallography.",

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N2 - 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.

AB - 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.

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

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