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Methyl 2-(1,3-dioxoisoindolin-2-yl)acrylate.

ABSTRACT: In the title compound, C(12)H(9)NO(4), an important dehydro-amino acid, the acrylate C=C double bond is not parallel to the adjacent carbonyl group and an s-trans configuration is also observed.

SUBMITTER: Wang YW

PROVIDER: S-EPMC2915346 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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Methyl 2-(1,3-dioxoisoindolin-2-yl)acrylate.

Wang Ya-Wen YW Peng Yu Y

Acta crystallographica. Section E, Structure reports online 20071218 Pt 1

In the title compound, C(12)H(9)NO(4), an important dehydro-amino acid, the acrylate C=C double bond is not parallel to the adjacent carbonyl group and an s-trans configuration is also observed. ...[more]

PMID: 21200860

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(E)-Methyl 2-[(1,3-dioxoisoindolin-2-yl)meth-yl]-3-phenyl-acrylate.

Project description:In the title compound, C(19)H(15)NO(4), the isoindole ring system is essentially planar [maximum deviation = 0.011 (1) Å] and is oriented at a dihedral angle of 75.7 (1)° with respect to the phenyl ring. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯O hydrogen bond. The crystal packing is stabilized by C-H⋯O hydrogen bonds, which generate zigzag chains along the a axis. The crystal packing is further stabilized by a C-H⋯π inter-action.

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

Project description: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 π-π 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.

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Project description:The title compound, C(13)H(13)NO(4)S, the 1,3-dioxoisoindolin-2-yl unit is planar (r.m.s. deviation 0.0192?Å) and is oriented at a dihedral angle of 79.14?(18)° to the carboxyl-ate group. An intra-molecular C-H?O hydrogen bond leads to the formation of a planar (r.m.s. deviation 0.0419?Å)R(5) ring motif. In the crystal, mol-ecules are connected through O-H?O and C-H?O hydrogen bonds with R(2) (2)(9) ring motifs into chains extending along the b axis.

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(2R)-2-(1,3-Dioxoisoindolin-2-yl)-3-methyl-butanoic acid.

Project description:In the title compound, C(13)H(13)NO(4), the dihedral angle between the nine-membered phthalimino ring system and the carb-oxy-lic acid group is 67.15?(9)°. An intra-molecular C-H?O close contact, which forms an S(6) ring, may help to establish the mol-ecular conformation. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, thereby forming C(7) chains propagating in [010].

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