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Crystal structure of 1,3-bis-(1,3-dioxoisoindolin-1-yl)urea dihydrate: a urea-based anion receptor.

ABSTRACT: The whole mol-ecule of the title compound, C17H10N4O5·2H2O, is generated by twofold rotation symmetry and it crystallized as a dihydrate. The planes of the phthalimide moieties and the urea unit are almost normal to one another, with a dihedral angle of 78.62?(9)°. In the crystal, mol-ecules are linked by N-H?O and O-H?O hydrogen bonds, forming a three-dimensional framework structure. The crystal packing also features C-H?O hydrogen bonds and slipped parallel ?-? inter-actions [centroid-centroid distance = 3.6746?(15)?Å] involving the benzene rings of neighbouring phthalimide moieties.

SUBMITTER: Medrano F

PROVIDER: S-EPMC4257348 | biostudies-literature | 2014 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of 1,3-bis-(1,3-dioxoisoindolin-1-yl)urea dihydrate: a urea-based anion receptor.

Medrano Felipe F Medrano Felipe F Lujano Sergio S Godoy-Alcántar Carolina C Tlahuext Hugo H

Acta crystallographica. Section E, Structure reports online 20141024 Pt 11

The whole mol-ecule of the title compound, C17H10N4O5·2H2O, is generated by twofold rotation symmetry and it crystallized as a dihydrate. The planes of the phthalimide moieties and the urea unit are almost normal to one another, with a dihedral angle of 78.62 (9)°. In the crystal, mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds, forming a three-dimensional framework structure. The crystal packing also features C-H⋯O hydrogen bonds and slipped parallel π-π inter-actions [centroid-centroid ...[more]

PMID: 25484749

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