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2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methyl-benzene-sulfonate.


ABSTRACT: In the title mol-ecule, C(17)H(15)NO(5)S, the dihedral angle between the essentially planar atoms of the tosyl moiety (the S atom and the seven tolyl C atoms) and the phthalimide moiety is 6.089?(3)°. The mol-ecule is folded about the ethyl-ene bridge, adopting a staggered conformation such that the benzene ring of the tosyl group and the five-membered ring of the phthalimide moiety have a face-to-face orientation with a centroid-to-centroid separation of 3.7454?(12)?Å. The crystal structure is stabilized by weak inter-molecular ?-? inter-actions between symmetry-related five-membered rings of the phthalimide groups, with a centroid-to-centroid distance of 3.3867?(11)?Å. The compound is used for the attachment of a suitable chelate functionality for radiolabeling purposes.

SUBMITTER: Bartholoma MD 

PROVIDER: S-EPMC2960049 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

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2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methyl-benzene-sulfonate.

Bartholomä Mark Daniel MD   Ouellette Wayne W   Zubieta Jon J  

Acta crystallographica. Section E, Structure reports online 20081120 Pt 12


In the title mol-ecule, C(17)H(15)NO(5)S, the dihedral angle between the essentially planar atoms of the tosyl moiety (the S atom and the seven tolyl C atoms) and the phthalimide moiety is 6.089 (3)°. The mol-ecule is folded about the ethyl-ene bridge, adopting a staggered conformation such that the benzene ring of the tosyl group and the five-membered ring of the phthalimide moiety have a face-to-face orientation with a centroid-to-centroid separation of 3.7454 (12) Å. The crystal structure is  ...[more]

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