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2-(1,3-Dioxoisoindolin-2-yl)propanoic acid.

ABSTRACT: The crystal structure of the title compound, C(11)H(9)NO(4), consists of infinite one-dimensional polymeric chains due to inter-molecular O-H⋯O hydrogen bonds between the carboxyl-ate and carbonyl groups. The phthalimide ring system and the C-COO group are planar, with r.m.s. deviations of 0.0253 and 0.0067 Å, respectively, from their mean square planes and the dihedral angle between them is 66.41 (7)°. The mol-ecules are stabilized by C=O⋯π inter-actions and weak intra-molecular C-H⋯O hydrogen bonds.

SUBMITTER: Raza AR

PROVIDER: S-EPMC2970965 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-[2-(1,3-Dioxoisoindolin-2-yl)acetamido]-acetic acid.

Project description:The title mol-ecule, C(12)H(10)N(2)O(5), is non-planar with dihedral angles of 89.08?(7) and 83.21?(7)° between the phthalimide and acetamide mean planes, and the acetamide and acetic acid mean planes, respectively. In the crystal, symmetry-related mol-ecules are linked via N-H?O and O-H?O hydrogen bonds, forming an undulating two-dimensional network. There are also a number of weak C-H?O inter-actions, leading to the formation of a three-dimensional arrangement.

| S-EPMC3009347 | biostudies-literature

(2R)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methyl-sulfan-yl)butanoic acid.

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.

| S-EPMC2977145 | biostudies-literature

2-(1,3-Dioxoisoindolin-2-yl)acetonitrile.

Project description:The asymmetric unit of the title compound, C(10)H(6)N(2)O(2), contains two independent mol-ecules. The dihedral angles between the acetonitrile and the 1H-isoindole-1,3(2H)-dione units are 69.0 (7)° and 77.0 (5)° in the two mol-ecules. One of the two terminal N atoms is disordered over two positions in a 0.66 (8):0,34 (8) ratio. In the crystal structure, the mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2983393 | biostudies-literature

3-(1,3-Dioxoisoindolin-2-yl)propane-nitrile.

Project description:In the title compound, C(11)H(8)N(2)O(2), the packing is consolidated by C-H⋯N and C-H⋯O inter-actions.

| S-EPMC2915245 | biostudies-literature

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

Project description: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.

| S-EPMC2915346 | biostudies-literature

Bis[2-(1,3-dioxoisoindolin-2-yl)eth-yl] phthalate.

Project description:The title compound, C(28)H(20)N(2)O(8), was synthesized by the reaction of isobenzofuran-1,3-dione and 2-amino-ethanol in a one-pot reaction. The benzene and five-membered rings are slightly twisted to each other, making dihedral angles of 2.77 (9) and 1.77 (10)°. The rings of the phthalimide groups make dihedral angle of 57.64 (7) and 83.46 (7)° with the central benzene ring. Weak C-H⋯O, C-H⋯π and π-π [centroid-centroid distance = 3.446 (1) and 3.599 (1) Å] inter-actions reinforce the cohesion of the crystal.

| S-EPMC2979961 | biostudies-literature

4-[(1,3-Dioxoisoindolin-2-yl)meth-yl]benzene-sulfonamide.

Project description:The title compound, C15H12N2O4S, is V-shaped with the isoindoline ring system (r.m.s. deviation = 0.006 Å) inclined to the benzene ring by 84.27 (13)°. In the crystal, inversion dimers are formed via pairwise N-H⋯O hydrogen bonds. These dimers associate further into corrugated ribbons, via pairwise N-H⋯O and C-H⋯O hydrogen bonds, propagating along the a-axis direction and lying parallel to (001).

| S-EPMC3998451 | biostudies-literature

(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].

| S-EPMC3200837 | biostudies-other

The 1:1 adduct of caffeine and 2-(1,3-dioxoisoindolin-2-yl)acetic acid.

Project description:IN THE CRYSTAL STRUCTURE OF THE TITLE ADDUCT [SYSTEMATIC NAME: 2-(1,3-dioxoisoindolin-2-yl)acetic acid-1,3,7-trimethyl-1,2,3,6-tetra-hydro-7H-purine-2,6-dione (1/1)], C(8)H(10)N(4)O(2)·C(10)H(7)NO(4), the components are linked by an O-H⋯N hydrogen-bond and no proton transfer occurs.

| S-EPMC3200756 | biostudies-literature

(Z)-3?-(1,3-Dioxoisoindolin-2-yl)-17(20)-pregnene.

Project description:The title compound, C(29)H(37)NO(2), crystallized with two independent mol-ecules in an asymmetric unit in which the conformation of the cyclo-hexyl ring of the pregnene moiety bonded to the 3?-(1,3-dioxoisoindolin-2-yl)- ring system differs: in one mol-ecule it is in a chair conformation, while in the other it exhibits a half-chair conformation. The other six-membered rings in the pregnene moiety are in chair conformations and the five-membered rings are in envelope forms in both mol-ecules. In both mol-ecules, the 3?-(1,3-dioxoisoindolin-2-yl)- ring systems are individually approximately planar, with r.m.s. devtaions 0.0148 and 0.0264?Å. The structure is consolidated by inter-molecular C-H?O hydrogen-bonding inter-actions involving the carbonyl O atoms and methyl, methyl-ene and methyl-idyne groups, resulting in a two-dimensional structure.

| S-EPMC3213511 | biostudies-literature

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