Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(2,5-Dioxotetra-hydro-furan-3-yl)isoindoline-1,3-dione.

ABSTRACT: In the title compound, C(12)H(7)NO(5), the dihedral angle between the isoindole-1,3-dione plane and the least-squares plane of the furan ring is 89.2?(2)°. In the crystal structure, mol-ecules are linked through inter-molecular C-H?O hydrogen bonds, forming centrosymmetric dimers.

SUBMITTER: Qian SS

PROVIDER: S-EPMC2960612 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(2,5-Dioxotetra-hydro-furan-3-yl)isoindoline-1,3-dione.

Qian Shao-Song SS

Acta crystallographica. Section E, Structure reports online 20080806 Pt 9

In the title compound, C(12)H(7)NO(5), the dihedral angle between the isoindole-1,3-dione plane and the least-squares plane of the furan ring is 89.2 (2)°. In the crystal structure, mol-ecules are linked through inter-molecular C-H⋯O hydrogen bonds, forming centrosymmetric dimers. ...[more]

PMID: 21201656

Similar Datasets

3-Phenyl-tetra-hydro-furan-2,5-dione.

Project description:In the title compound, C(10)H(8)O(3), the dihedral angle between the approximately planar tetra-hydro-furan-2,5-dione ring [maximum deviation 0.014?(3)?Å] and the phenyl ring is 85.68?(8)°. Weak C-H?O=C inter-molecular hydrogen-bonding contacts are observed in the structure.

| S-EPMC2968078 | biostudies-literature

8-Chloro-methyl-5-(2,5-dioxooxolan-3-yl)-3,3a,4,5-tetra-hydro-1H-naphtho-[1,2-c]furan-1,3-dione.

Project description:The title compound, C17H13ClO6, is an asymmetric alicyclic dianhydride containing a chloro-methyl-substituted tetra-hydro-naphthalene moiety. The cyclo-hexene ring in the tetra-hydro-naphthalene moiety exhibits an envelope conformation with the tertiary C atom as the flap The dihedral angle between the two anhydride rings is 79.96 (6)°, while those between the benzene ring and the non-fused and fused anhydride rings are 71.03 (5) and 42.57 (7)°, respectively. In the crystal, mol-ecules are connected by weak C-H⋯O inter-actions, forming a three-dimensional supramolecular structure.

| S-EPMC3772467 | biostudies-literature

Crystal structure of 3-(tri-phenyl-phosphoranyl-idene)-2,5-di-hydro-furan-2,5-dione tetra-hydro-furan monosolvate.

Project description:The title pseudo-polymorph of 3-(tri-phenyl-phospho-ranyl-idene)-2,5-di-hydro-furan-2,5-dione crystallizes with a tetra-hydro-furan solvent mol-ecule, viz. C22H17O3P·C4H8O. The succinic anhydride ring is approximately planar (r.m.s. deviation = 0.032 Å). The tetra-hydro-furan mol-ecule is disordered over two orientations about a pseudo-twofold axis with refined occupancy ratio 0.718 (4):0.282 (4). In the crystal, C-H⋯O hydrogen bonds link mol-ecules of the di-hydro-furan-2,5-dione derivative into chains parallel to the b axis and arranged into layers stacked along [100] alternating with hydrogen-bonded tetra-hydro-furan layers.

| S-EPMC6127696 | biostudies-literature

2-(3-Bromo-prop-yl)isoindoline-1,3-dione.

Project description:In the title compound, C(11)H(10)BrNO(2), the dihedral angle between the five- and six-membered rings of the phthalamide system is 1.00?(16)°. There are no significant inter-molecular inter-ations except for van der Waals contacts.

| S-EPMC2971232 | biostudies-literature

2-(2-Bromo-eth-yl)isoindoline-1,3-dione.

Project description:The asymmetric unit of the title compound, C(10)H(8)BrNO(2), contains three crystallographically independent mol-ecules. Two of the N-C-C-Br side chains adopt anti conformations [torsion angles = -179.8?(5) and -179.4?(4)°] and the other is gauche [-66.5?(6)°]. The crystal structure features short Br?O [3.162?(5)?Å] contacts, C-H?O hydrogen bonds and numerous ?-? stacking inter-actions [centroid-centroid separations = 3.517?(4)-3.950?(4)?Å].

| S-EPMC3247571 | biostudies-literature

2-[2-(Methyl-sulfon-yl)eth-yl]isoindoline-1,3-dione.

Project description:In the mol-ecule of the title compound, C(11)H(11)NO(4)S, the isoindoline ring system is almost planar with a maximum deviation of 0.008?(3)Å. In the crystal structure, inter-molecular C-H?O inter-actions link the mol-ecules into a three-dimensional network. ?-? contacts between the isoindoline rings [centroid-centroid distances = 3.592?(1) and 3.727?(1)?Å] may further stabilize the structure.

| S-EPMC2977474 | biostudies-literature

2-[2-(Trimethyl-silyl)eth-yl]isoindoline-1,3-dione.

Project description:In the course of our studies of silicon-containing anti-cancer compounds, the title compound, C(13)H(17)NO(2)Si, was synthesized. The geometrical parameters including the geometry about the Si atom are typical. The mol-ecules form dimers via a weak C-H?O inter-action described by the graph set R(2) (2)(10). The dimers are assembled in rows stacked in the crystallographic b-axis direction via ?-? inter-actions with a 3.332?(3)?Å separation between the rows.

| S-EPMC2980030 | biostudies-literature

2-[(3S)-5-Oxooxolan-3-yl]isoindoline-1,3-dione.

Project description:The oxolan-2-one ring in the title compound, C(12)H(9)NO(4), has an envelope conformation with the atom linking the two five-membered rings being the flap atom.

| S-EPMC3254364 | biostudies-literature

5-(2,5-Dioxooxolan-3-yl)-8-methyl-3,3a,4,5-tetra-hydro-1H-naphtho-[1,2-c]furan-1,3-dione.

Project description:In the title compound, C(17)H(14)O(6), the dihedral angle between the two anhydride rings is 76.01?(8)°while the dihedral angles between the benzene and anhydride rings are 42.60?(7) and 68.94?(7)°. The cyclo-hexene ring of the tetra-hydro-naphthalene unit exhibits an envelope conformation.

| S-EPMC3569761 | biostudies-other

2-[3-(Methyl-diphenyl-silyl)prop-yl]isoindoline-1,3-dione.

Project description:In the title compound, C(24)H(23)NO(2)Si, the dihedral angle between the planes of the phenyl rings attached to the Si atom is 80.78?(10)°. In the crystal, the mol-ecules form sheets lying perpendicular to [101] via C-H?O inter-actions. These sheets are stacked and linked in a three-dimensional framework by additional C-H?O inter-actions in the [10] direction.

| S-EPMC2980052 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data